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NHR@FAU

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  2. [RETIRED]HPC System Utilization

[RETIRED]HPC System Utilization

In page navigation: [RETIRED]HPC System Utilization

    [RETIRED]HPC System Utilization

    User projects

    From time to time RRZE or now NHR@FAU asks its HPC customers to provide a short report of the work they are doing on the HPC systems. You can find an extensive list of ongoing and past user projects on our User Project Page.

    HPC users and usage

    pie chart with HPC usage
    weighted HPC usage (year 2017)

    RRZE operates big HPC systems (LiMa – shutdown end of 2018, Emmy – shutdown in 09/2022, Meggie, Fritz&Alex – since 2022), a throughput cluster (Woody) and specialized systems (TinyFAT, TinyGPU, Windows HPC – shutdown in June 2018). As of Q4/2022, there are in total are more than 2’000 nodes with more than 90’000 cores and almost 400 TB of (distributed) main memory as well as more than 10 PB of disk storage in five storage systems plus a transparently managed tape library for offline-storage.

    Highlights of 2017

    In the year 2017 more than 550 accounts from almost 70 groups have been active (i.e. consumed CPU cycles) on RRZE’s HPC systems. This includes scientists from all five faculties of the University, students doing labs as part of their studies or for their final bachelor or master thesis, as well as a few users from regional universities and colleges or external collaborators. In total about 200 million core hours have been delivered to 1.7 million jobs.

    Highlights of 2018

    The year 2018 was marked by a significant extension of storage capacity through a “shareholder NFS server”. TinyGPU has been extended by several user groups to include up-to-date (consumer) GPUs. But we also had to shutdown two systems (LiMa and Windows HPC). Both were up and running for more than eight years. Over the years, LiMa served more than one thousand users and delivered almost 300 million core hours to 2.6 million jobs.

    In the year 2018 almost 600 accounts from more than 70 groups have been active (i.e. consumed CPU cycles) on RRZE’s HPC systems. This includes scientists from all five faculties of the University, students doing labs as part of their studies or for their final bachelor or master thesis, as well as a few users from regional universities and colleges or external collaborators. In total more than 200 million core hours have been delivered to almost 1.6 million jobs.

    Roofline diagram of all tracked jobs on Meggie in the year 2019.

    Highlights of 2019

    In the year 2019 more about 530 accounts from 70 groups have been active (i.e. consumed CPU cycles) on RRZE’s HPC systems. This includes again scientists from all five faculties of the University, students doing labs as part of their studies or for their final bachelor or master thesis, as well as a few users from regional universities and colleges or external collaborators. In total about 215 million core hours have been delivered to more than 1.2 million jobs.

    Only “minor” hardware extensions occurred during the year 2019: 12 additional nodes with 48 NVidia RZX2080Ti GPUs for TinyGPU (+51%; all financed by individual user groups), yet an other “shareholder NFS server” (+450 TB), and finally an addition of 112 nodes to the Woody throughput cluster (+64%) financed by the ending excellence cluster EAM and an upcoming CRC. The grand proposal for FAU’s next big parallel cluster (4.5 mio EUR) is under review by DFG and we hope to get the approval in early 2020.

    Highlights of 2020

    In the year 2020 our DFG application was approved and we succeeded with our NHR application. The tender for a big procurement (8 Mio EUR for a parallel computer and GPGPU cluster) was started in autumn. Several groups again financed significant extensions of TinyGPU and TinyFAT. These new nodes also mark the transition from Ubuntu 18.04 to Ubuntu 20.04 and from Torque/maui to Slurm as batch system. Moreover, the HPC storage system for $HOME and $VAULT has been replaced during summer 2020 – significantly increasing the online disk capacity to several PetaBytes.

    The number of active accounts and groups further increased to 738 and 83, respectively. This includes again scientists from all five faculties of the University, students doing labs as part of their studies or for their final bachelor or master thesis, as well as a few users from regional universities and colleges or external collaborators. In total about 213 million core hours have been delivered to more than 1.6 million jobs.

    Highlights of 2021

    Our work in the year 2021 was dominated with the transition of the HPC services from RRZE to NHR@FAU. The newly established Erlangen National Center for High Performance Computing (NHR@FAU) is now not only in charge of the national services but also for all basic Tier3 HPC services of FAU. Dedicated financial resources are available for the basic Tier3 services; however, we exploit as much synergies in purchasing and operating the hardware as well as user services. Thus, from the outside NHR@FAU looks like one unit despite the different financing sources and duties. Besides this smooth transition in the background, also the procurement of the new NHR/Tier3 systems Alex (GPGPU cluster) + Fritz (parallel computer) has been an all year long task. It originally was planned to get Alex + Fritz operational in Q3/2021. However, due the world wide shortage not only of IT equipment but also many other supply, only Alex could be brought into early-access mode by the end of 2021.

    The number of active accounts and groups was on a similar level as in the past years. NHR@FAU also could welcome first national users. Luckily, also the staff of NHR@FAU could be increased by several people.

    Preliminary highlights of 2022

    Alex + Fritz became fully operational and, both, have already been extended by additional nodes. The peak power consumption of all HPC systems on some days exceeds 1 MW. On Fritz we sometimes see in regular production more than 1 PFlop/ sustained performance.

    NHR is a major game changer with already 12 large-scale projects, 30 normal projects, and 13 test/porting projects from all over Germany.

     

    Research projects associated with any of the HPC clusters except Alex+Fritz (items occur multiple times if a field is mentioned for multiple clusters) – extracted from FAU’s CRIS database


    • A stochastic estimate of sea level contribution from glaciers and ice caps using satellite remote sensing
    • Tapping the potential of Earth Observations
    • International Doctoral Program: Measuring and Modelling Mountain glaciers and ice caps in a Changing Climate (M³OCCA)
    • Measurements of height and mass changes of glaciers and ice caps outside the large ice sheets using TanDEM-X
    • Deep-Learning-Informed Glacio-Hydrological Threat


    • Study of the dynamic state of ice shelves on the south-western Antarctic Peninsula by an interdisciplinary approach of remote sensing, fracture mechanics and modelling of ice dynamics
    • A stochastic estimate of sea level contribution from glaciers and ice caps using satellite remote sensing
    • Climate sensitivity of ice shelves on the western Antarctic Peninsula
    • Video-based Re-Identification for Animals
    • International Doctoral Program: Measuring and Modelling Mountain glaciers and ice caps in a Changing Climate (M³OCCA)
    • Measurements of height and mass changes of glaciers and ice caps outside the large ice sheets using TanDEM-X
    • Ice thickness, remote sensing and sensitivity experiments using an ice dynamic model for main outlet glaciers of the southern Patagonian icefield
    • Development of an interactive platform for processing and distribution of data sets with glaciological variables based on Sentinel-1 data (for glaciers and ice caps outside the large ice sheets)
    • Tapping the potential of Earth Observations
    • Deep-Learning-Informed Glacio-Hydrological Threat


    • Teilprojekt P12 - Postdoctoral Project: Quantum-to-Continuum Model of Thermoset Fracture
    • Video-based Re-Identification for Animals
    • International Doctoral Program: Measuring and Modelling Mountain glaciers and ice caps in a Changing Climate (M³OCCA)
    • Characterization of molecular diffusion in liquids with dissolved gases
    • Tapping the potential of Earth Observations
    • Metaprogrammierung für Beschleunigerarchitekturen


    • Mesoscopic simulation of the selective beam melting process
    • Pre-standardisation of incremental FIB micro-milling for intrinsic stress evaluation at the sub-micron scale
    • International Doctoral Program: Measuring and Modelling Mountain glaciers and ice caps in a Changing Climate (M³OCCA)
    • Characterization of molecular diffusion in liquids with dissolved gases
    • Substrate impact on flow induced particle motion in laminar shear flow
    • Numerical modeling of local material properties and thereof derived process strategies for powder bed based additive manufacturing of bulk metallic glasses (T2)
    • Accurate determination of binary gas diffusion coefficients by using laser-optical measurement methods and molecular dynamics simulations
    • Cooperative Action of SNARE Peptides in Fusion
    • Modellgestützte Auswertung von Diffusionsexperimenten an binären Gasgemischen in einer Loschmidt-Zelle
    • Dispersion Effects on Reactivity and Chemo-, Regio- and Stereoselectivity in Organocatalysed Domino Reactions: A Joint Experimental and Theoretical Study
    • Teilprojekt P12 - Postdoctoral Project: Quantum-to-Continuum Model of Thermoset Fracture
    • Schädigungsmechanismen und mikrostrukturelle Einflussgrößen auf die Ermüdungslebensdauer metallischer Werkstoffe im VHCF-Bereich
    • The role of SNARE TMDs during exocytosis of secretory granules
    • GRK 1962: Dynamische Wechselwirkungen an Biologischen Membranen – von Einzelmolekülen zum Gewebe
    • Characterization of molecular diffusion in liquids with dissolved gases
    • Selbstadaption für zeitschrittbasierte Simulationstechniken auf heterogenen HPC-Systemen
    • Ultra-Skalierbare Multiphysiksimulationen für Erstarrungsprozesse in Metallen
    • Tapping the potential of Earth Observations
    • Influence of Topological Anisotropy on the Mechanical Properties of Silicate Glasses
    • Thermophysical Properties of Long-Chained Hydrocarbons, Alcohols, and their Mixtures with Dissolved Gases
    • Theory


    • International Doctoral Program: Measuring and Modelling Mountain glaciers and ice caps in a Changing Climate (M³OCCA)
    • Process-Oriented Performance Engineering Service Infrastructure for Scientific Software at German HPC Centers
    • Large Scale Simulations on Carbon Allotropes (C01)
    • ESSEX - Equipping Sparse Solvers for Exascale
    • Cooperative Action of SNARE Peptides in Fusion
    • Fractures across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics/ Skalenübergreifende Bruchvorgänge: Integration von Mechanik, Materialwissenschaften, Mathematik, Chemie und Physik
    • Equipping Sparse Solvers for Exascale II (ESSEX-II)
    • ExaStencils - Advanced Stencil-Code Engineering
    • Detection and Attribution of climate change for the mountain cryosphere: Advancing to the process-level
    • Dispersion Effects on Reactivity and Chemo-, Regio- and Stereoselectivity in Organocatalysed Domino Reactions: A Joint Experimental and Theoretical Study
    • TERRA-NEO - Integrated Co-Design of an Exascale Earth Mantle Modeling Framework
    • GRK 1962: Dynamische Wechselwirkungen an Biologischen Membranen – von Einzelmolekülen zum Gewebe
    • EXASTEEL II - Bridging Scales for Multiphase Steels
    • Plastic deformation, crack nucleation and fracture in lightweight intermetallic composite materials
    • Privacy-preserving analysis of distributed medical data
    • Selbstadaption für zeitschrittbasierte Simulationstechniken auf heterogenen HPC-Systemen
    • Quantenchemische Untersuchungen zu Bildung, Struktur, Energie und elektronischen Eigenschaften von Carbinen, Fullerenen und Graphenen (C02)
    • Energy Oriented Center of Excellence: toward exascale for energy (Performance evaluation, modelling and optimization)
    • Tapping the potential of Earth Observations
    • Metaprogrammierung für Beschleunigerarchitekturen
    • Deep-Learning-Informed Glacio-Hydrological Threat

    Research projects associated with the Tier/NHR systems Alex+Fritz (items occur multiple times if a field is mentioned for multiple clusters) – extracted from FAU’s CRIS database


    • Medical Image Analysis with Normative Machine Learning
    • DatenREduktion für Exascale- Anwendungen in der Fusionsforschung
    • International Doctoral Program: Measuring and Modelling Mountain glaciers and ice caps in a Changing Climate (M³OCCA)
    • Der skalierbare Strömungsraum
    • Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL)
    • Tapping the potential of Earth Observations


    • DatenREduktion für Exascale- Anwendungen in der Fusionsforschung
    • International Doctoral Program: Measuring and Modelling Mountain glaciers and ice caps in a Changing Climate (M³OCCA)
    • Der skalierbare Strömungsraum
    • Fracture across Scales: Integrating Mechanics, Materials Science, Mathematics, Chemistry, and Physics (FRASCAL)
    • Tapping the potential of Earth Observations

    Publications associated with any of the HPC clusters except Alex+Fritz (items occur multiple times if a publication is liked to multiple clusters) – extracted from FAU’s CRIS database


    • Seehaus T., Sommer C., Dethinne T., Malz P.:
      Mass changes of the northern Antarctic Peninsula Ice Sheet derived from repeat bi-static synthetic aperture radar acquisitions for the period 2013–2017
      In: Cryosphere 17 (2023), p. 4629-4644
      ISSN: 1994-0416
      DOI: 10.5194/tc-17-4629-2023
    • Zapletal P., McMahon N., Hartmann M.:
      Error-tolerant quantum convolutional neural networks for symmetry-protected topological phases
      In: Physical Review Research 6 (2024), Article No.: 033111
      ISSN: 2643-1564
      DOI: 10.1103/PhysRevResearch.6.033111
    • Ortiz RA., Menke H., Misjak F., Mantadakis DT., Fuersich K., Schierle E., Logvenov G., Kaiser U., Keimer B., Hansmann P., Benckiser E.:
      Superlattice approach to doping infinite-layer nickelates
      In: Physical Review B 104 (2021)
      ISSN: 0163-1829
      DOI: 10.1103/PhysRevB.104.165137
    • Eckstein T., Mansuroglu R., Czarnik P., Zhu JX., Hartmann M., Cincio L., Sornborger AT., Holmes Z.:
      Large-scale simulations of Floquet physics on near-term quantum computers
      In: npj Quantum Information 10 (2024), Article No.: 84
      ISSN: 2056-6387
      DOI: 10.1038/s41534-024-00866-1
      URL: https://arxiv.org/abs/2303.02209
    • Fleischmann S., Holzwarth Correa V., Coppers B., Sadeghi M., Richer R., Kleyer A., Simon D., Bräunig J., Vossiek M., Schönau V., Schett G., Koelewijn A., Leyendecker S., Eskofier B., Liphardt AM.:
      Classification of rheumatoid arthritis from hand motion capture data using machine learning
      13. Kongress der Deutschen Gesellschaft für Biomechanik (DGfB) (Heidelberg, 2024-04-24 - 2024-04-26)
    • Sahlmann H., Sherif W.:
      Towards quantum gravity with neural networks: solving quantum Hamilton constraints of 3d Euclidean gravity in the weak coupling limit
      In: Classical and Quantum Gravity 41 (2024), Article No.: 215006
      ISSN: 0264-9381
      DOI: 10.1088/1361-6382/ad7c14
    • Sahlmann H., Sherif W.:
      Towards quantum gravity with neural networks: solving the quantum Hamilton constraint of U(1) BF theory
      In: Classical and Quantum Gravity 41 (2024), Article No.: 225014
      ISSN: 0264-9381
      DOI: 10.1088/1361-6382/ad84af
    • Mansuroglu R., Eckstein T., Nützel L., Wilkinson S., Hartmann M.:
      Variational Hamiltonian simulation for translational invariant systems via classical pre-processing
      In: Quantum Science and Technology 8 (2023), Article No.: 025006
      ISSN: 2058-9565
      DOI: 10.1088/2058-9565/acb1d0
    • Rounce DR., Hock R., McNabb RW., Millan R., Sommer C., Braun M., Malz P., Maussion F., Mouginot J., Seehaus T., Shean DE.:
      Distributed Global Debris Thickness Estimates Reveal Debris Significantly Impacts Glacier Mass Balance
      In: Geophysical Research Letters 48 (2021), Article No.: e2020GL091311
      ISSN: 0094-8276
      DOI: 10.1029/2020GL091311
    • Malz P., Sommer C., Seehaus T., Farías-Barahona D., Braun M.:
      Global glacier surface elevation change and geodetic mass balance estimations
      13th European Conference on Synthetic Aperture Radar, EUSAR 2021 (Virtual, 2021-03-29 - 2021-04-01)
      In: Proceedings of the European Conference on Synthetic Aperture Radar, EUSAR 2021


    • Sahlmann H., Sherif W.:
      Towards quantum gravity with neural networks: solving quantum Hamilton constraints of 3d Euclidean gravity in the weak coupling limit
      In: Classical and Quantum Gravity 41 (2024), Article No.: 215006
      ISSN: 0264-9381
      DOI: 10.1088/1361-6382/ad7c14
    • Grau B., Bönisch S., Neuhauser A., Hampel F., Görling A., Tsogoeva S.:
      Facile Access to Challenging ortho-Terphenyls via Merging Two Multi-Step Domino Reactions in One-Pot: A Joint Experimental/Theoretical Study
      In: ChemCatChem (2019)
      ISSN: 1867-3880
      DOI: 10.1002/cctc.201900746
    • Brabec T., Dinh PM., Gao C., McDonald C., Reinhard PG., Suraud É.:
      Physical mechanisms encoded in photoionization yield from IR+XUV setups
      In: European Physical Journal D 73 (2019), Article No.: 212
      ISSN: 1434-6060
      DOI: 10.1140/epjd/e2019-90507-4
    • Wang J., Mbah Chrameh F., Przybilla T., Englisch S., Spiecker E., Engel M., Vogel N.:
      Free Energy Landscape of Colloidal Clusters in Spherical Confinement
      In: Acs Nano (2019)
      ISSN: 1936-0851
      DOI: 10.1021/acsnano.9b03039
    • Fan F., Kreher BW., Keil H., Maier A., Huang Y.:
      Fiducial marker recovery and detection from severely truncated data in navigation assisted spine surgery
      In: Medical Physics (2022)
      ISSN: 0094-2405
      DOI: 10.1002/mp.15617
    • Nitschke M., Dorschky E., Eskofier B., Koelewijn A., van den Bogert AJ.:
      Trajectory Optimization of a 3D Musculoskeletal Model with Inertial Sensors
      XXVIII Congress of the International Society of Biomechanics (ISB) (Online, 2021-07-25 - 2021-07-29)
      URL: https://www.mad.tf.fau.de/files/2021/07/nitschke_isb_2021_abstract.pdf
    • Klement M., Engel M.:
      Efficient equilibration of hard spheres with Newtonian event chains
      In: Journal of Chemical Physics 150 (2019), Article No.: 174108
      ISSN: 0021-9606
      DOI: 10.1063/1.5090882
    • Reinhard PG., Dundas D., Dinh PM., Vincendon M., Suraud E.:
      Unexpected dipole instabilities in small molecules after ultrafast XUV irradiation
      In: Physical Review A 107 (2023), Article No.: L020801
      ISSN: 1050-2947
      DOI: 10.1103/PhysRevA.107.L020801
    • Kleinert T., Schmidt M.:
      Computing Feasible Points of Bilevel Problems with a Penalty Alternating Direction Method
      In: Informs Journal on Computing (2020)
      ISSN: 1091-9856
      DOI: 10.1287/ijoc.2019.0945
      URL: https://pubsonline.informs.org/doi/10.1287/ijoc.2019.0945
    • Halbig K., Hümbs L., Rösel F., Schewe L., Weninger D.:
      Computing optimality certificates for convex mixed-integer nonlinear problems
      (2021)
      URL: https://opus4.kobv.de/opus4-trr154/frontdoor/index/index/docId/476/
    • Nitschke M., Marzilger R., Leyendecker S., Eskofier B., Koelewijn A.:
      Change the direction: 3D optimal control simulation by directly tracking marker and ground reaction force data
      In: PeerJ (2023)
      ISSN: 2167-8359
      DOI: 10.7717/peerj.14852
      URL: https://peerj.com/articles/14852/
    • Franz E., Krappmann D., Fromm L., Luchs T., Görling A., Hirsch A., Brummel O., Libuda J.:
      Electrocatalytic Energy Release of Norbornadiene-Based Molecular Solar Thermal Systems: Tuning the Electrochemical Stability by Molecular Design
      In: Chemsuschem (2022)
      ISSN: 1864-5631
      DOI: 10.1002/cssc.202201483
    • Lang P., Kücükmeric E., Huber F., Will S.:
      Investigation of iron oxide nanoparticle formation in a spray-flame synthesis process using laser-induced incandescence
      In: Applied Physics B-Lasers and Optics 130 (2024), Article No.: 199
      ISSN: 0946-2171
      DOI: 10.1007/s00340-024-08334-6
    • Hümbs L., Martin A., Schewe L.:
      Exploiting complete linear descriptions for decentralized power market problems with integralities
      In: Mathematical Methods of Operations Research (2022)
      ISSN: 1432-2994
      DOI: 10.1007/s00186-022-00775-z
      URL: https://opus4.kobv.de/opus4-trr154/frontdoor/index/index/docId/279
    • Yang Z., Bauereiß A., Markl M., Körner C.:
      Modeling laser beam absorption of metal alloys at high temperatures for selective laser melting
      In: Advanced Engineering Materials 23 (2021), Article No.: 2100137
      ISSN: 1438-1656
      DOI: 10.1002/adem.202100137
    • Qiu J., Wilm F., Öttl M., Schlereth M., Liu C., Heimann T., Aubreville M., Breininger K.:
      Adaptive Region Selection for Active Learning in Whole Slide Image Semantic Segmentation
      In: The 26th International Conference on Medical Image Computing and Computer Assisted Intervention (MICCAI 2023) 2023
      DOI: 10.48550/arXiv.2307.07168
    • Lacombe L., Suraud E., Reinhard PG., Dinh PM.:
      An average stochastic approach to two-body dissipation in finite fermion systems
      In: Annals of Physics 406 (2019), p. 233-256
      ISSN: 0003-4916
      DOI: 10.1016/j.aop.2018.10.009
    • Dinh PM., Vincendon M., Coppens F., Suraud E., Reinhard PG.:
      Quantum Dissipative Dynamics (QDD): A real-time real-space approach to far-off-equilibrium dynamics in finite electron systems
      In: Computer Physics Communications 270 (2022)
      ISSN: 0010-4655
      DOI: 10.1016/j.cpc.2021.108155
    • Eckstein T., Mansuroglu R., Czarnik P., Zhu JX., Hartmann M., Cincio L., Sornborger AT., Holmes Z.:
      Large-scale simulations of Floquet physics on near-term quantum computers
      In: npj Quantum Information 10 (2024), Article No.: 84
      ISSN: 2056-6387
      DOI: 10.1038/s41534-024-00866-1
      URL: https://arxiv.org/abs/2303.02209
    • Gamler JT., Leonardi A., Ashberry HM., Daanen NN., Losovyj Y., Unocic RR., Engel M., Skrabalak SE.:
      Achieving Highly Durable Random Alloy Nanocatalysts through Intermetallic Cores
      In: ACS nano 13 (2019), p. 4008-4017
      ISSN: 1936-0851
      DOI: 10.1021/acsnano.8b08007
    • Gamler JT., Leonardi A., Sang X., Koczkur KM., Unocic RR., Engel M., Skrabalak SE.:
      Effect of lattice mismatch and shell thickness on strain in core@shell nanocrystals
      In: Nanoscale Advances (2020)
      ISSN: 2516-0230
      DOI: 10.1039/D0NA00061B
    • Hemauer F., Bauer U., Fromm L., Weiß C., Leng A., Bachmann P., Düll F., Steinhauer J., Schwaab V., Grzonka R., Hirsch A., Görling A., Steinrück HP., Papp C.:
      Surface Chemistry of the Molecular Solar Thermal Energy Storage System 2,3-Dicyano-Norbornadiene/Quadricyclane on Ni(111)
      In: ChemPhysChem (2022)
      ISSN: 1439-4235
      DOI: 10.1002/cphc.202200199
    • Yang Z., Huber F., Krapf A., Merle B., Markl M., Schmidt M., Körner C.:
      Revealing bulk metallic glass crystallization kinetics during laser powder bed fusion by a combination of experimental and numerical methods
      In: Journal of Non-Crystalline Solids 619 (2023), Article No.: 122532
      ISSN: 0022-3093
      DOI: 10.1016/j.jnoncrysol.2023.122532
    • Yang Z., Markl M., Körner C.:
      Comprehensive numerical investigation of laser powder bed fusion process conditions for bulk metallic glasses
      In: Additive Manufacturing 81 (2024), Article No.: 104026
      ISSN: 2214-7810
      DOI: 10.1016/j.addma.2024.104026
    • Aigner KM., Burlacu R., Liers F., Martin A.:
      Solving AC Optimal Power Flow with Discrete Decisions to Global Optimality
      In: Informs Journal on Computing (2023)
      ISSN: 1091-9856
      DOI: 10.1287/ijoc.2023.1270
      URL: https://opus4.kobv.de/opus4-trr154/frontdoor/index/index/docId/323
    • Reinhard PG., Suraud E.:
      Self-interaction-correction and electron removal energies
      In: Theoretical Chemistry Accounts 140 (2021)
      ISSN: 1432-881X
      DOI: 10.1007/s00214-021-02753-w
    • Bernhard D., Liers F., Stingl M.:
      A Gradient-Based Method for Joint Chance-Constrained Optimization with Continuous Distributions
      (2025)
      URL: https://opus4.kobv.de/opus4-trr154/frontdoor/index/index/docId/532
    • Freiberger M., Minameyer M., Solymosi I., Frühwald S., Krug M., Xu Y., Hirsch A., Clark T., Guldi DM., von Delius M., Amsharov K., Görling A., Perez-Ojeda Rodriguez ME., Drewello T.:
      Two Rings Around One Ball: Stability and Charge Localization of [1 : 1] and [2 : 1] Complex Ions of [10]CPP and C60/70[*]
      In: Chemistry - A European Journal 29 (2022), Article No.: e202203734
      ISSN: 0947-6539
      DOI: 10.1002/chem.202203734
    • Sahlmann H., Sherif W.:
      Towards quantum gravity with neural networks: solving the quantum Hamilton constraint of U(1) BF theory
      In: Classical and Quantum Gravity 41 (2024), Article No.: 225014
      ISSN: 0264-9381
      DOI: 10.1088/1361-6382/ad84af
    • Mansuroglu R., Eckstein T., Nützel L., Wilkinson S., Hartmann M.:
      Variational Hamiltonian simulation for translational invariant systems via classical pre-processing
      In: Quantum Science and Technology 8 (2023), Article No.: 025006
      ISSN: 2058-9565
      DOI: 10.1088/2058-9565/acb1d0
    • Friedl P., Seehaus T., Braun M.:
      Global time series and temporal mosaics of glacier surface velocities derived from Sentinel-1 data
      In: Earth System Science Data 13 (2021), p. 4653-4675
      ISSN: 1866-3508
      DOI: 10.5194/essd-13-4653-2021
    • Aigner KM., Bärmann A., Braun K., Liers F., Pokutta S., Schneider O., Sharma K., Tschuppik S.:
      Data-driven Distributionally Robust Optimization over Time
      In: INFORMS Journal on Optimization (2023)
      ISSN: 2575-1484
      DOI: 10.1287/ijoo.2023.0091
      URL: https://opus4.kobv.de/opus4-trr154/frontdoor/index/index/docId/496
    • Higgoda U., Hellmann R., Koller TM., Fröba AP.:
      Self-diffusion coefficient and viscosity of methane and carbon dioxide via molecular dynamics simulations based on new ab initio-derived force fields
      In: Fluid Phase Equilibria 481 (2019), p. 15-27
      ISSN: 0378-3812
      DOI: 10.1016/j.fluid.2018.10.011
    • Higgoda U., Hewa Kankanamge CJK., Hellmann R., Koller TM., Fröba AP.:
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      In: ACS Catalysis (2019), p. 9499-9507
      ISSN: 2155-5435
      DOI: 10.1021/acscatal.9b02459
    • Bauer T., Maisel S., Blaumeiser D., Vecchietti J., Taccardi N., Wasserscheid P., Bonivardi A., Görling A., Libuda J.:
      Operando DRIFTS and DFT Study of Propane Dehydrogenation over Solid- and Liquid-Supported GaxPty Catalysts
      In: ACS Catalysis 9 (2019), p. 2842-2853
      ISSN: 2155-5435
      DOI: 10.1021/acscatal.8b04578
    • Söldner C., Horn A., Sticht H.:
      A Metadynamics-Based Protocol for the Determination of GPCR-Ligand Binding Modes
      In: International Journal of Molecular Sciences 20 (2019)
      ISSN: 1422-0067
      DOI: 10.3390/ijms20081970
    • Pröschel M., Kraner M., Horn A., Schäfer L., Sonnewald U., Sticht H.:
      Probing the potential of CnaB-type domains for the design of tag/catcher systems
      In: PLoS ONE 12 (2017)
      ISSN: 1932-6203
      DOI: 10.1371/journal.pone.0179740
    • Aouane O., Scagliarini A., Harting J.:
      Structure and rheology of suspensions of spherical strain-hardening capsules
      In: Journal of Fluid Mechanics 911 (2021), Article No.: A11
      ISSN: 0022-1120
      DOI: 10.1017/jfm.2020.1040
    • Beudert M., Hahn L., Horn A., Hauptstein N., Sticht H., Meinel L., Luxenhofer R., Gutmann M., Luehmann T.:
      Merging bioresponsive release of insulin-like growth factor I with 3D printable thermogelling hydrogels
      In: Journal of Controlled Release 347 (2022), p. 115-126
      ISSN: 0168-3659
      DOI: 10.1016/j.jconrel.2022.04.028
    • Klawonn A., Lanser M., Rheinbach O., Wellein G., Wittmann M.:
      Energy efficiency of nonlinear domain decomposition methods
      In: International Journal of High Performance Computing Applications (2020)
      ISSN: 1094-3420
      DOI: 10.1177/1094342020953891
    • Landshuter N., Mölg T., Grießinger J., Bräuning A., Peters T.:
      10-year Characteristics of Moisture Source Regions and Their Potential Effect on Seasonal Isotopic Signatures of delta O-18 in Tropical Trees of Southern Ecuador
      In: Frontiers in Earth Science 8 (2020)
      ISSN: 2296-6463
      DOI: 10.3389/feart.2020.604804
    • Gahbauer S., Pluhackova K., Böckmann R.:
      Closely related, yet unique: Distinct homo- and heterodimerization patterns of G protein coupled chemokine receptors and their fine-tuning by cholesterol.
      In: PLoS Computational Biology 14 (2018), p. e1006062
      ISSN: 1553-734X
      DOI: 10.1371/journal.pcbi.1006062
    • Adhikari R., Massicot S., Fromm L., Talwar T., Gezmis E., Meusel M., Bayer A., Jaekel S., Maier F., Görling A., Steinrück HP.:
      Structure and Reactivity of the Ionic Liquid [C(1)C(1)Im][Tf2N] on Cu(111)
      In: Topics in Catalysis (2023)
      ISSN: 1022-5528
      DOI: 10.1007/s11244-023-01801-y
    • Langheld A., Koziol J., Adelhardt P., Kapfer S., Schmidt KP.:
      Scaling at quantum phase transitions above the upper critical dimension
      In: SciPost Physics 13 (2022), Article No.: 088
      ISSN: 2542-4653
      DOI: 10.21468/SciPostPhys.13.4.088
    • Becher M., Krusche R., Tautz M., Mauss M., Springer N., Krömer F., Becker S.:
      Influence of the Gap Flow of Axial Vehicle Cooling Fans on Radiated Narrowband and Broadband Noise
      In: Acta Acustica United With Acustica 105 (2019), p. 435-448
      ISSN: 1610-1928
      DOI: 10.3813/AAA.919326
    • Pöhnl M., Kluge C., Böckmann R.:
      Lipid Bicelles in the Study of Biomembrane Characteristics
      In: Journal of Chemical Theory and Computation (2023)
      ISSN: 1549-9618
      DOI: 10.1021/acs.jctc.3c00085
    • Peters B., Stein J., Klingl S., Sander N., Sandmann A., Taccardi N., Sticht H., Gerlach RG., Muller Y., Hensel M.:
      Structural and functional dissection reveals distinct roles of Ca2+-binding sites in the giant adhesin SiiE of Salmonella enterica
      In: PLoS Pathogens 13 (2017), Article No.: e1006418
      ISSN: 1553-7366
      DOI: 10.1371/journal.ppat.1006418
    • Breuning C., Böhm J., Markl M., Körner C.:
      High-Throughput Numerical Investigation of Process Parameter-Melt Pool Relationships in Electron Beam Powder Bed Fusion
      In: Modelling 4 (2023), p. 336-350
      ISSN: 2673-3951
      DOI: 10.3390/modelling4030019
    • Schikarski T., Peukert W., Avila M.:
      Direct numerical simulation of water–ethanol flows in a T-mixer
      In: Chemical Engineering Journal 324 (2017), p. 168-181
      ISSN: 1385-8947
      DOI: 10.1016/j.cej.2017.04.119
    • Diewald B., Socher E., Söldner C., Sticht H.:
      Conformational Dynamics of Herpesviral NEC Proteins in Different Oligomerization States
      In: International Journal of Molecular Sciences 19 (2018)
      ISSN: 1422-0067
      DOI: 10.3390/ijms19102908
    • Schikarski T., Trzenschiok H., Peukert W., Avila M.:
      Inflow boundary conditions determine T-mixer efficiency
      In: Reaction Chemistry & Engineering 4 (2019), p. 559-568
      ISSN: 2058-9883
      DOI: 10.1039/c8re00208h
    • Malhis M., Kaniyappan S., Aillaud I., Chandupatla RR., Ramirez LM., Zweckstetter M., Horn A., Mandelkow E., Sticht H., Funke SA.:
      Potent Tau Aggregation Inhibitor D-Peptides Selected against Tau-Repeat 2 Using Mirror Image Phage Display
      In: ChemBioChem (2021)
      ISSN: 1439-4227
      DOI: 10.1002/cbic.202100287
    • Gahbauer S., Böckmann R.:
      Comprehensive Characterization of Lipid-Guided G Protein-Coupled Receptor Dimerization.
      In: Journal of Physical Chemistry B 124 (2020), p. 2823-2834
      ISSN: 1520-6106
      DOI: 10.1021/acs.jpcb.0c00062
    • Yang Z., Fromm L., Sander T., Gebhardt J., Schaub TA., Görling A., Kivala M., Maier S.:
      On-Surface Assembly of Hydrogen- and Halogen-Bonded Supramolecular Graphyne-Like Networks
      In: Angewandte Chemie International Edition (2020)
      ISSN: 1433-7851
      DOI: 10.1002/anie.201916708
    • Wittkämper H., Maisel S., Moritz M., Grabau M., Görling A., Steinrück HP., Papp C.:
      Surface oxidation-induced restructuring of liquid Pd-Ga SCALMS model catalysts
      In: Physical Chemistry Chemical Physics (2021)
      ISSN: 1463-9076
      DOI: 10.1039/d1cp02458b
    • Xiang F., Maisel S., Beniwal S., Akhmetov V., Ruppenstein C., Devarajulu M., Dörr A., Papaianina O., Görling A., Amsharov K., Maier S.:
      Planar π-extended cycloparaphenylenes featuring an all-armchair edge topology
      In: Nature Chemistry 1^4 (2022), p. 871-876
      ISSN: 1755-4330
      DOI: 10.1038/s41557-022-00968-3
    • Frieß M., Pluhackova K., Böckmann R.:
      Structural Model of the mIgM B-Cell Receptor Transmembrane Domain From Self-Association Molecular Dynamics Simulations
      In: Frontiers in Immunology 9 (2018), Article No.: 2947
      ISSN: 1664-3224
      DOI: 10.3389/fimmu.2018.02947
      URL: https://www.frontiersin.org/articles/10.3389/fimmu.2018.02947/full
    • Sadeghi H., Kniesburges S., Kaltenbacher M., Schützenberger A., Döllinger M.:
      Computational Models of Laryngeal Aerodynamics: Potentials and Numerical Costs
      In: Journal of Voice 33 (2019), p. 385-400
      ISSN: 0892-1997
      DOI: 10.1016/j.jvoice.2018.01.001
    • Sarcletti M., Vivod D., Luchs T., Rejek T., Portilla Berlanga L., Müller L., Dietrich H., Hirsch A., Zahn D., Halik M.:
      Superoleophilic Magnetic Iron Oxide Nanoparticles for Effective Hydrocarbon Removal from Water
      In: Advanced Functional Materials (2019)
      ISSN: 1616-301X
      DOI: 10.1002/adfm.201805742
      URL: https://onlinelibrary.wiley.com/doi/10.1002/adfm.201805742
    • Meier A., Bänsch E., Frank F.:
      Schur preconditioning of the Stokes equations in channel-dominated domains
      In: Computer Methods in Applied Mechanics and Engineering 398 (2022)
      ISSN: 0045-7825
      DOI: 10.1016/j.cma.2022.115264
    • Chachanidze RD., Aouane O., Harting J., Wagner C., Leonetti M.:
      Margination of artificially stiffened red blood cells
      In: Physical Review Fluids 9 (2024), Article No.: L091101
      ISSN: 2469-990X
      DOI: 10.1103/PhysRevFluids.9.L091101
    • Huraskin D., Horn A.:
      Alkali ion influence on structure and stability of fibrillar amyloid-beta oligomers
      In: Journal of Molecular Modeling 25 (2019), Article No.: 37
      ISSN: 1610-2940
      DOI: 10.1007/s00894-018-3920-4
    • Rettinger C., Rüde U.:
      Dynamic Load Balancing Techniques for Particulate Flow Simulations
      In: Computation 7 (2019)
      ISSN: 2079-3197
      DOI: 10.3390/computation7010009
      URL: https://www.mdpi.com/2079-3197/7/1/9
    • Bauer U., Fromm L., Weiß C., Bachmann P., Späth F., Düll F., Steinhauer J., Hieringer W., Görling A., Hirsch A., Steinrück HP., Papp C.:
      Controlled Catalytic Energy Release of the Norbornadiene/Quadricyclane Molecular Solar Thermal Energy Storage System on Ni(111)
      In: Journal of Physical Chemistry C 123 (2019), p. 7654-7664
      ISSN: 1932-7447
      DOI: 10.1021/acs.jpcc.8b03746
    • Nusser K., Müller S., Scheit C., Oswald M., Becker S.:
      Large Eddy Simulation of the Flow Around a Simplified Car Model
      In: Direct and Large-Eddy Simulation X, Springer, 2017, p. 243--249 (ERCOFTAC Series, Vol.24)
      ISBN: 978-3-319-63212-4
    • Bauer M., Eibl S., Godenschwager C., Kohl N., Kuron M., Rettinger C., Schornbaum F., Schwarzmeier C., Thönnes D., Köstler H., Rüde U.:
      WALBERLA: A block-structured high-performance framework for multiphysics simulations
      In: Computers & Mathematics with Applications (2020)
      ISSN: 0898-1221
      DOI: 10.1016/j.camwa.2020.01.007
    • Hilpert F., Liao PC., Franz E., Koch V., Fromm L., Topraksal E., Görling A., Smith AS., Barr M., Bachmann J., Brummel O., Libuda J.:
      Mechanistic Insight into Solution-Based Atomic Layer Deposition of CuSCN Provided by In Situ and Ex Situ Methods
      In: ACS Applied Materials and Interfaces (2023), p. 19536–19544
      ISSN: 1944-8244
      DOI: 10.1021/acsami.2c16943
    • Zanoni P., Steindl K., Sticht H., Oneda B., Joset P., Ivanovski I., Horn AH., Cabello EM., Laube J., Zweier M., Baumer A., Rauch A., Khan N.:
      The genetic landscape and clinical implication of pediatric Moyamoya angiopathy in an international cohort
      In: European Journal of Human Genetics (2023)
      ISSN: 1018-4813
      DOI: 10.1038/s41431-023-01320-0
    • Kicuntod J., Alkhashrom S., Häge S., Diewald B., Müller R., Hahn F., Lischka P., Sticht H., Eichler J., Marschall M.:
      Properties of Oligomeric Interaction of the Cytomegalovirus Core Nuclear Egress Complex (NEC) and Its Sensitivity to an NEC Inhibitory Small Molecule
      In: Viruses 13 (2021)
      ISSN: 1999-4915
      DOI: 10.3390/v13030462
    • Kataev E., Fromm L., Tariq Q., Wechsler D., Williams FJ., Tsud N., Franchi S., Steinrück HP., Görling A., Lytken O.:
      Anchoring of phthalic acid on MgO(100)
      In: Surface Science 720 (2022), Article No.: 122007
      ISSN: 0039-6028
      DOI: 10.1016/j.susc.2021.122007
    • Stanek M., Picard LP., Schmidt M., Kaindl J., Hübner H., Bouvier M., Weikert D., Gmeiner P.:
      Hybridization of β-Adrenergic Agonists and Antagonists Confers G Protein Bias
      In: Journal of Medicinal Chemistry 62 (2019), p. 5111-5131
      ISSN: 0022-2623
      DOI: 10.1021/acs.jmedchem.9b00349
    • Alvermann A., Basermann A., Bungartz HJ., Carbogno C., Ernst D., Fehske H., Futamura Y., Galgon M., Hager G., Huber S., Huckle T., Ida A., Imakura A., Kawai M., Köcher S., Kreutzer M., Kus P., Lang B., Lederer H., Manin V., Marek A., Nakajima K., Nemec L., Reuter K., Rippl M., Röhrig-Zöllner M., Sakurai T., Scheffler M., Scheurer C., Shahzad F., Simoes Brambila D., Thies J., Wellein G.:
      Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects
      In: Japan Journal of Industrial and Applied Mathematics (2019)
      ISSN: 0916-7005
      DOI: 10.1007/s13160-019-00360-8
    • Fickenscher G., Fromm L., Görling A., Libuda J.:
      Atomic Layer Deposition of HfS2 on Oxide Interfaces: A Model Study on the Initial Nucleation Processes
      In: Journal of Physical Chemistry C 126 (2022), p. 21596-21605
      ISSN: 1932-7447
      DOI: 10.1021/acs.jpcc.2c06293
    • Nusser K., Becker S.:
      Numerical investigation of the fluid structure acoustics interaction on a simplified car model
      In: Acta Acustica 5 (2021), p. 22
      ISSN: 2681-4617
      DOI: 10.1051/aacus/2021014
      URL: https://acta-acustica.edpsciences.org/articles/aacus/abs/2021/01/aacus200068/aacus200068.html
    • Socher E., Conrad M., Heger L., Paulsen F., Sticht H., Zunke F., Arnold P.:
      Computational decomposition reveals reshaping of the SARS‐CoV‐2–ACE2 interface among viral variants expressing the N501Y mutation
      In: Journal of Cellular Biochemistry (2021)
      ISSN: 0730-2312
      DOI: 10.1002/jcb.30142
    • Collier E., Mölg T.:
      BAYWRF: A high-resolution present-day climatological atmospheric dataset for Bavaria
      In: Earth System Science Data 12 (2020), p. 3097-3112
      ISSN: 1866-3508
      DOI: 10.5194/essd-12-3097-2020
    • Bauer U., Fromm L., Weiß C., Späth F., Bachmann P., Düll F., Steinhauer J., Matysik S., Pominov A., Görling A., Hirsch A., Steinrück HP., Papp C.:
      Surface chemistry of 2,3-dibromosubstituted norbornadiene/quadricyclane as molecular solar thermal energy storage system on Ni(111)
      In: Journal of Chemical Physics 150 (2019), Article No.: 184706
      ISSN: 0021-9606
      DOI: 10.1063/1.5095583
    • Rohracker M., Kumar P., Mergheim J.:
      A comparative assessment of different adaptive spatial refinement strategies in phase-field fracture models for brittle fracture
      In: Forces in Mechanics 10 (2023), p. 100157
      ISSN: 2666-3597
      DOI: 10.1016/j.finmec.2022.100157
      URL: https://www.sciencedirect.com/science/article/pii/S2666359722000853
    • Mölg T., R. Hardy D., Collier E., Kropac E., Schmid C., J. Cullen N., Kaser G., Prinz R., Winkler M.:
      Mesoscale atmospheric circulation controls of local meteorological elevation gradients on Kersten Glacier near Kilimanjaro summit
      In: Earth System Dynamics 11 (2020), p. 653-672
      ISSN: 2190-4979
      DOI: 10.5194/esd-11-653-2020
    • Xu J., Hu Y., Kaindl J., Risel P., Hübner H., Maeda S., Niu X., Li H., Gmeiner P., Jin C., Kobilka BK.:
      Conformational Complexity and Dynamics in a Muscarinic Receptor Revealed by NMR Spectroscopy
      In: Molecular Cell 75 (2019), p. 53-65.e7
      ISSN: 1097-2765
      DOI: 10.1016/j.molcel.2019.04.028

    Publications associated with the Tier/NHR systems Alex+Fritz (items occur multiple times if a field is mentioned for multiple clusters) – extracted from FAU’s CRIS database


    • Calderón JC., Plut E., Keller M., Cabrele C., Reiser O., Gervasio FL., Clark T.:
      Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors
      In: Journal of Chemical Information and Modeling 64 (2024), p. 205-218
      ISSN: 1549-9596
      DOI: 10.1021/acs.jcim.3c01574
    • Volkenandt S., Beierlein F., Imhof P.:
      Interaction of thymine dna glycosylase with oxidised 5-methyl-cytosines in their amino-and imino-forms
      In: Molecules 26 (2021), Article No.: 5728
      ISSN: 1420-3049
      DOI: 10.3390/molecules26195728
    • Henningson JO., Veltrup R., Semmler M., Döllinger M., Stamminger M.:
      Fireflies: Photorealistic Simulation and Optimization of Structured Light Endoscopy
      9th International Workshop on Simulation and Synthesis in Medical Imaging, SASHIMI 2024, held in conjunction with the 27th International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2024 (Marrakesh, MAR, 2024-10-10 - 2024-10-10)
      In: Virginia Fernandez, Jelmer M. Wolterink, David Wiesner, Samuel Remedios, Lianrui Zuo, Adrià Casamitjana (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2024
      DOI: 10.1007/978-3-031-73281-2_10
    • Folle L., Tkotz K., Gadjimuradov F., Kapsner L., Fabian M., Bickelhaupt S., Simon D., Kleyer A., Krönke G., Zaiß M., Nagel AM., Maier A.:
      Towards Super-resolution CEST MRI for Visualization of Small Structures
      In: Klaus Maier-Hein, Thomas M. Deserno, Heinz Handels, Andreas Maier, Christoph Palm, ThomasTolxdorff (ed.): Bildverarbeitung für die Medizin 2022, Wiesbaden: Springer Vieweg, 2022, p. 210-215 (Proceedings, German Workshop on Medical Image Computing, Heidelberg, June 26–28, 2022)
      ISBN: 978-3-658-36932-3

      DOI: 10.1007/978-3-658-36932-3_45
    • Mayr M., Krenz J., Neumeier K., Bub A., Bürcky S., Brolich N., Herbers K., Habermann M., Fleischmann P., Maier A., Christlein V.:
      Nuremberg Letterbooks: A Multi-Transcriptional Dataset of Early 15th Century Manuscripts for Document Analysis.
      In: Scientific Data 12 (2025), Article No.: 811
      ISSN: 2052-4463
      Open Access: https://www.nature.com/articles/s41597-025-05144-z
      URL: https://www.nature.com/articles/s41597-025-05144-z
    • Dombrowski M., Reynaud H., Müller J., Baugh M., Kainz B.:
      Trade-Offs in Fine-Tuned Diffusion Models between Accuracy and Interpretability
      38th AAAI Conference on Artificial Intelligence, AAAI 2024 (Vancouver, 2024-02-20 - 2024-02-27)
      In: Association for the Advancement of Artificial Intelligence (ed.): AAAI-24 Special Track Safe, Robust and Responsible AI Track, Washington, DC: 2024
      DOI: 10.1609/aaai.v38i19.30095
    • Franke L., Rückert D., Fink L., Stamminger M.:
      TRIPS: Trilinear Point Splatting for Real-Time Radiance Field Rendering
      In: Computer Graphics Forum (2024)
      ISSN: 0167-7055
      DOI: 10.1111/cgf.15012
    • Trollmann M., Böckmann R.:
      Characterization of a lipid nanoparticle for mRNA delivery using molecular dynamics
      In: EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, NEW YORK: 2021
    • Wu F., Zhang J., Liu D., Maier A., Christlein V.:
      Deep learning-based debris flow hazard detection and recognition system: a case study
      In: Scientific Reports 15 (2025), Article No.: 6789
      ISSN: 2045-2322
      DOI: 10.1038/s41598-025-86471-4
      URL: https://www.nature.com/articles/s41598-025-86471-4
    • Angersbach R., Kuckuk S., Köstler H.:
      Generating Coupling Interfaces for Multiphysics Simulations with ExaStencils and waLBerla
      International Parallel and Distributed Processing Symposium (IPDPS) (St. Petersburg, Florida USA, 2023-05-15 - 2023-05-19)
      In: 2023 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW), Los Alamitos, CA, USA: 2023
      DOI: 10.1109/IPDPSW59300.2023.00112
      URL: https://ieeexplore.ieee.org/document/10196550
    • Trollmann M., Böckmann R.:
      mRNA lipid nanoparticle phase transition
      In: Biophysical Journal (2022)
      ISSN: 0006-3495
      DOI: 10.1016/j.bpj.2022.08.037
    • Linck-Paulus L., Horn A., Matthies AO., Fischer S., Meister G., Sticht H., Kappelmann-Fenzl M., Boßerhoff AK.:
      A novel splice variant of Argonaut 2 affects microRNA target genes and cell viability of melanoma cells
      In: JOURNAL DER DEUTSCHEN DERMATOLOGISCHEN GESELLSCHAFT, HOBOKEN: 2022
    • Ruppelt D., Trollmann M., Dema T., Wirtz SN., Flegel H., Mönnikes S., Grond S., Böckmann R., Steinem C.:
      The antimicrobial fibupeptide lugdunin forms water-filled channel structures in lipid membranes
      In: Nature Communications 15 (2024), Article No.: 3521
      ISSN: 2041-1723
      DOI: 10.1038/s41467-024-47803-6
    • Handke M., Beierlein F., Imhof P., Schiedel M., Hammann S.:
      New fluorogenic triacylglycerols as sensors for dynamic measurement of lipid oxidation
      In: Analytical and Bioanalytical Chemistry (2024)
      ISSN: 1618-2642
      DOI: 10.1007/s00216-024-05642-w
    • Koller TM., Jander JH., Hewa Kankanamge CJK., Braun L., Chittem PK., Kerscher M., Rausch MH., Klein T., Wasserscheid P., Fröba AP.:
      Thermophysical Properties of the Hydrogen Carrier System Based on Aqueous Solutions of Isopropanol or Acetone
      In: International Journal of Thermophysics 45 (2024), Article No.: 156
      ISSN: 0195-928X
      DOI: 10.1007/s10765-024-03449-6
    • Conrad M., Horn A., Sticht H.:
      Computational Analysis of Histamine Protonation Effects on H1R Binding
      In: Molecules 28 (2023), Article No.: 3774
      ISSN: 1420-3049
      DOI: 10.3390/molecules28093774
    • Dombrowski M., Zhang W., Cechnicka S., Reynaud H., Kainz B.:
      Image Generation Diversity Issues and How to Tame Them
      (2025), p. 3029-3039
      DOI: 10.48550/arXiv.2411.16171
      URL: https://openaccess.thecvf.com/content/CVPR2025/html/Dombrowski_Image_Generation_Diversity_Issues_and_How_to_Tame_Them_CVPR_2025_paper.html
    • Gösche E., Eghbali R., Knoll F., Rauschecker AM.:
      Domain Influence in MRI Medical Image Segmentation: Spatial Versus k-Space Inputs
      15th International Workshop on Machine Learning in Medical Imaging, Held in Conjunction with MICCAI 2024 (Marrakesh, 2024-10-06 - 2024-10-06)
      In: Xuanang Xu, Zhiming Cui, Islem Rekik, Xi Ouyang, Kaicong Sun (ed.): Machine Learning in Medical Imaging, Cham: 2024
      DOI: 10.1007/978-3-031-73284-3_31
      URL: https://link.springer.com/chapter/10.1007/978-3-031-73284-3_31
    • Richard Marcus, Christian Vogel, Inga Jatzkowski, Niklas Knoop, Marc Stamminger:
      Synth It Like KITTI: Synthetic Data Generation for Object Detection in Driving Scenarios (Beitrag bei einer Tagung, accepted)
      DOI: 10.48550/arXiv.2502.15076
    • Wirth V., Bräunig J., Khouri D., Gutsche F., Vossiek M., Weyrich T., Stamminger M.:
      Automatic Spatial Calibration of Near-Field MIMO Radar With Respect to Optical Depth Sensors
      IEEE/RSJ International Conference on Intelligent Robots and Systems (IROS) (Abu Dhabi, 2024-10-14 - 2024-10-18)
      DOI: 10.1109/IROS58592.2024.10801705
    • Amador Balderas JA., Beierlein F., Horn A., Volkenandt S., Völcker L., Mokhtari N., Epee Ndongue JC., Imhof P.:
      Mode of Metal Ligation Governs Inhibition of Carboxypeptidase A
      In: International Journal of Molecular Sciences 25 (2024), p. 13725
      ISSN: 1422-0067
      DOI: 10.3390/ijms252413725
    • Bachhuber S., Weber D., Weygers I., Seel T.:
      RNN-based Observability Analysis for Magnetometer-Free Sparse Inertial Motion Tracking
      25th International Conference on Information Fusion, FUSION 2022 (Linkoping, 2022-07-04 - 2022-07-07)
      In: 2022 25th International Conference on Information Fusion, FUSION 2022 2022
      DOI: 10.23919/FUSION49751.2022.9841375
    • Zhai Z., Hantal G., Cherian A., Bergen A., Chu J., Wick C., Meyer K., Smith AS., Koller TM.:
      Influence of molecular hydrogen on bulk and interfacial properties of three imidazolium-based ionic liquids by experiments and molecular dynamics simulations
      In: International Journal of Hydrogen Energy 72 (2024), p. 1091-1104
      ISSN: 0360-3199
      DOI: 10.1016/j.ijhydene.2024.05.249
    • Deubler M., Weißenborn L., Leukel S., Horn A., Eichler J., Sticht H.:
      Computational Characterization of the Binding Properties of the HIV1-Neutralizing Antibody PG16 and Design of PG16-Derived CDRH3 Peptides
      In: Biology 12 (2023), Article No.: 824
      ISSN: 2079-7737
      DOI: 10.3390/biology12060824
    • Franke L., Rückert D., Fink L., Innmann M., Stamminger M.:
      VET: Visual Error Tomography for Point Cloud Completion and High-Quality Neural Rendering
      Siggraph Asia 2023 (Sydney, 2023-12-12 - 2023-12-15)
      In: ACM SIGGRAPH Asia 2023 Conference Proceedings 2023
      DOI: 10.1145/3610548.3618212
      URL: https://www.lgdv.tf.fau.de/?p=2638
    • Mattick A., Mayr M., Seuret M., Kordon F., Wu F., Christlein V.:
      Evaluating learned feature aggregators for writer retrieval
      In: International Journal on Document Analysis and Recognition 27 (2024), p. 265-274
      ISSN: 1433-2833
      DOI: 10.1007/s10032-024-00482-x
      URL: https://link.springer.com/article/10.1007/s10032-024-00482-x
    • Hahlbohm F., Franke L., Kappel M., Castillo S., Eisemann M., Stamminger M., Magnor M.:
      INPC: Implicit Neural Point Clouds for Radiance Field Rendering
      International Conference on 3D Vision 2025 (Singapore, 2025-03-25 - 2025-03-28)
      In: Proceedings of the International Conference on 3D Vision 2025 2025
      Open Access: https://openreview.net/forum?id=lzhYJt55Yf
    • Dogaru A., Özer M., Egger B.:
      Generalizable 3D Scene Reconstruction via Divide and Conquer from a Single View
      International Conference on 3D Vision 2025 (Singapore, 2025-03-25 - 2025-01-28)
      Open Access: https://arxiv.org/pdf/2404.03421
    • Linck-Paulus L., Meißgeier T., Pieger K., Horn A., Matthies AO., Fischer S., Meister G., Sticht H., Kappelmann-Fenzl M., Boßerhoff AK.:
      A previously unknown Argonaute 2 variant positively modulates the viability of melanoma cells
      In: Cellular and Molecular Life Sciences 79 (2022), Article No.: 475
      ISSN: 1420-682X
      DOI: 10.1007/s00018-022-04496-8
    • Baugh M., Tan J., Müller JP., Dombrowski M., Batten J., Kainz B.:
      Many Tasks Make Light Work: Learning to Localise Medical Anomalies from Multiple Synthetic Tasks
      26th International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2023 (Vancouver, BC, CAN, 2023-10-08 - 2023-10-12)
      In: Hayit Greenspan, Hayit Greenspan, Anant Madabhushi, Parvin Mousavi, Septimiu Salcudean, James Duncan, Tanveer Syeda-Mahmood, Russell Taylor (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2023
      DOI: 10.1007/978-3-031-43907-0_16
    • Calderon Reyes J., Ibrahim P., Gobbo D., Gervasio FL., Clark T.:
      Determinants of Neutral Antagonism and Inverse Agonism in the β2-Adrenergic Receptor
      In: Journal of Chemical Information and Modeling 64 (2024), p. 2045-2057
      ISSN: 1549-9596
      DOI: 10.1021/acs.jcim.3c01763
    • Beierlein F., Horn A., Sticht H., Mokhir A., Imhof P.:
      In Silico Study of Camptothecin-Based Pro-Drugs Binding to Human Carboxylesterase 2
      In: Biomolecules 14 (2024), Article No.: 153
      ISSN: 2218-273X
      DOI: 10.3390/biom14020153
    • Owen H., Ernst D., Gruber T., Lemkuhl O., Houzeaux G., Gasparino L., Wellein G.:
      Alya towards Exascale: Optimal OpenACC Performance of the Navier-Stokes Finite Element Assembly on GPUs
      38th IEEE International Parallel and Distributed Processing Symposium, IPDPS 2024 (San Francisco, 2024-05-27 - 2024-05-31)
      In: 2024 IEEE International Parallel and Distributed Processing Symposium (IPDPS) 2024
      DOI: 10.1109/IPDPS57955.2024.00043
    • Wu F., Seuret M., Mayr M., Kordon F., Zöllner J., Wind S., Maier A., Christlein V.:
      Lightweight cross-attention-based HookNet for historical handwritten document layout analysis
      In: International Journal on Document Analysis and Recognition (2025)
      ISSN: 1433-2833
      DOI: 10.1007/s10032-025-00519-9
      URL: https://link.springer.com/article/10.1007/s10032-025-00519-9
    • Fink L., Rückert D., Franke L., Keinert J., Stamminger M.:
      LiveNVS: Neural View Synthesis on Live RGB-D Streams
      Siggraph Asia 2023 (Sydney, 2023-12-12 - 2023-12-15)
      In: ACM (ed.): Siggraph Asia 2023 Proceedings 2023
      URL: https://arxiv.org/abs/2311.16668
    • Müller J., Baugh M., Tan J., Dombrowski M., Kainz B.:
      Confidence-Aware and Self-supervised Image Anomaly Localisation
      Uncertainty for Safe Utilization of Machine Learning in Medical Imaging (Vancouver, 2023-10-12 - 2023-10-12)
      In: Carole H. Sudre, Christian F. Baumgartner, Adrian Dalca, Raghav Mehta, Chen Qin, William M. Wells (ed.): Uncertainty for Safe Utilization of Machine Learning in Medical Imaging 2023
      DOI: 10.1007/978-3-031-44336-7_18
    • Beudert M., Hahn L., Horn A., Hauptstein N., Sticht H., Meinel L., Luxenhofer R., Gutmann M., Luehmann T.:
      Merging bioresponsive release of insulin-like growth factor I with 3D printable thermogelling hydrogels
      In: Journal of Controlled Release 347 (2022), p. 115-126
      ISSN: 0168-3659
      DOI: 10.1016/j.jconrel.2022.04.028
    • Vlontzos A., Müller C., Kainz B.:
      Causal reasoning in medical imaging
      In: Trustworthy AI in Medical Imaging, Academic Press, 2025, p. 367-381 (The MICCAI Society)
      ISBN: 9780443237614

      DOI: 10.1016/B978-0-44-323761-4.00029-8
    • Wu F., Gourmelon N., Seehaus T., Zhang J., Braun M., Maier A., Christlein V.:
      Contextual HookFormer for Glacier Calving Front Segmentation
      In: IEEE Transactions on Geoscience and Remote Sensing 62 (2024), p. 1-15
      ISSN: 0196-2892
      DOI: 10.1109/TGRS.2024.3368215
      URL: https://ieeexplore.ieee.org/document/10440599
    • Beierlein F., Volkenandt S., Imhof P.:
      Oxidation Enhances Binding of Extrahelical 5-Methyl-Cytosines by Thymine DNA Glycosylase
      In: Journal of Physical Chemistry B 126 (2022), p. 1188-1201
      ISSN: 1520-6106
      DOI: 10.1021/acs.jpcb.1c09896
    • Cechnicka S., Ball J., Reynaud H., Arthurs C., Roufosse C., Kainz B.:
      Realistic Data Enrichment for Robust Image Segmentation in Histopathology
      5th MICCAI Workshop on Domain Adaptation and Representation Transfer, DART 2023 (Vancouver, BC, CAN, 2023-10-12 - 2023-10-12)
      In: Lisa Koch, M. Jorge Cardoso, Enzo Ferrante, Konstantinos Kamnitsas, Mobarakol Islam, Meirui Jiang, Nicola Rieke, Sotirios A. Tsaftaris, Dong Yang (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2024
      DOI: 10.1007/978-3-031-45857-6_7
    • Paraperas PF., Alexandros L., Stylianos M., Deng J., Kainz B., Stefanos Z.:
      Arc2face: A foundation model for id-consistent human faces
      In: Proceedings of the European Conference on Computer Vision (ECCV) 2024
      DOI: 10.1007/978-3-031-72913-3_14
      URL: https://link.springer.com/content/pdf/10.1007/978-3-031-72913-3_14.pdf
    • Calderon Reyes J., Ibrahim P., Gobbo D., Gervasio FL., Clark T.:
      General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor
      In: Journal of Chemical Information and Modeling 63 (2023), p. 3105-3117
      ISSN: 1549-9596
      DOI: 10.1021/acs.jcim.3c00208
    • Müller J., Kainz B.:
      Resource-Efficient Medical Image Analysis with Self-adapting Forward-Forward Networks
      15th International Workshop on Machine Learning in Medical Imaging, MLMI 2024 was held in conjunction with the 27th International Conference on Medical Image Computing and Computer Assisted Intervention, MICCAI 2024 (Marrakesh, 2024-10-06 - 2024-10-06)
      In: Xuanang Xu, Zhiming Cui, Kaicong Sun, Islem Rekik, Xi Ouyang (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2025
      DOI: 10.1007/978-3-031-73290-4_18
    • Thies M., Wagner F., Maul N., Folle L., Meier M., Rohleder M., Schneider LS., Pfaff L., Gu M., Utz J., Denzinger F., Manhart M., Maier A.:
      Gradient-based geometry learning for fan-beam CT reconstruction
      In: Physics in Medicine and Biology 68 (2023), Article No.: 205004
      ISSN: 0031-9155
      DOI: 10.1088/1361-6560/acf90e
      URL: https://iopscience.iop.org/article/10.1088/1361-6560/acf90e
    • Pöhnl M., Kluge C., Böckmann R.:
      Lipid Bicelles in the Study of Biomembrane Characteristics
      In: Journal of Chemical Theory and Computation (2023)
      ISSN: 1549-9618
      DOI: 10.1021/acs.jctc.3c00085
    • Pöhnl M., Trollmann M., Böckmann R.:
      Nonuniversal impact of cholesterol on membranes mobility, curvature sensing and elasticity
      In: Nature Communications 14 (2023), Article No.: 8038
      ISSN: 2041-1723
      DOI: 10.1038/s41467-023-43892-x
    • Hewa Kankanamge CJK., Zhan T., Zhang Z., Klein T., Fröba AP.:
      Influence of the Molecular Characteristics of the Solvent and the Solute Cation on Diffusive Mass Transport in Binary Electrolyte Mixtures by Dynamic Light Scattering and Molecular Dynamics Simulations
      In: Journal of The Electrochemical Society 171 (2024), Article No.: 110533
      ISSN: 0013-4651
      DOI: 10.1149/1945-7111/ad92df
    • Hewa Kankanamge CJK., Klein T., Fröba AP.:
      Diffusion Coefficients in Electrolyte Mixtures─Influence of the Solute Characteristics
      In: Journal of Chemical and Engineering Data 70 (2025), p. 1300–1311
      ISSN: 0021-9568
      DOI: 10.1021/acs.jced.4c00671
    • Wirth V., Liphardt AM., Coppers B., Bräunig J., Heinrich S., Leyendecker S., Kleyer A., Schett G., Vossiek M., Egger B., Stamminger M.:
      ShaRPy: Shape Reconstruction and Hand Pose Estimation from RGB-D with Uncertainty
      International Conference on Computer Vision (ICCV) Workshops (Paris, 2023-10-02 - 2023-10-06)
      In: Proceedings of the IEEE/CVF International Conference on Computer Vision (ICCV) Workshops 2023
      Open Access: https://openaccess.thecvf.com/content/ICCV2023W/CVAMD/html/Wirth_ShaRPy_Shape_Reconstruction_and_Hand_Pose_Estimation_from_RGB-D_with_ICCVW_2023_paper.html
    • Hofmann N., Wirth V., Bräunig J., Ullmann I., Vossiek M., Weyrich T., Stamminger M.:
      Inverse Rendering of Near-Field mmWave MIMO Radar for Material Reconstruction
      In: IEEE Journal of Microwaves (2025), p. 1-17
      ISSN: 2692-8388
      DOI: 10.1109/JMW.2025.3535077
      URL: https://github.com/nihofm/inverse-radar-rendering
    • Klemt I., Reshetnikov V., Dutta S., Bila G., Bilyy R., Cuartero IC., Hidalgo A., Wünsche A., Böhm M., Wondrak M., Kunz-Schughart LA., Tietze R., Beierlein F., Imhof P., Gensberger-Reigl S., Pischetsrieder M., Körber M., Jost T., Mokhir A.:
      A concept of dual-responsive prodrugs based on oligomerization-controlled reactivity of ester groups: an improvement of cancer cells versus neutrophils selectivity of camptothecin
      In: RSC Medicinal Chemistry (2024)
      ISSN: 2632-8682
      DOI: 10.1039/d3md00609c
    • Böhm J., Breuning C., Markl M., Körner C.:
      A new approach of preheating and powder sintering in electron beam powder bed fusion
      In: International Journal of Advanced Manufacturing Technology (2024)
      ISSN: 0268-3768
      DOI: 10.1007/s00170-024-13966-1
    • Zhang W., Basaran B., Meng Q., Baugh M., Stelter J., Lung P., Patel U., Bai W., Karampinos D., Kainz B.:
      MoCoSR: Respiratory Motion Correction and Super-Resolution for 3D Abdominal MRI
      26th International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2023 (Vancouver, BC, 2023-10-08 - 2023-10-12)
      In: Hayit Greenspan, Anant Madabhushi, Parvin Mousavi, Septimiu Salcudean, James Duncan, Tanveer Syeda-Mahmood, Russell Taylor (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2023
      DOI: 10.1007/978-3-031-43999-5_12
    • Wagner F., Thies M., Maul N., Pfaff L., Aust O., Pechmann S., Syben C., Maier A.:
      Geometric Constraints Enable Self-Supervised Sinogram Inpainting in Sparse-View Tomography
      17th International Meeting on Fully Three-Dimensional Image Reconstruction in Radiology and Nuclear Medicine (Fully3D) (Stony Brook University, NY, USA, 2023-07-16 - 2023-07-21)
      DOI: 10.48550/arXiv.2302.06436
      URL: https://arxiv.org/pdf/2302.06436.pdf
    • Franke L., Fink L., Stamminger M.:
      VR-Splatting: Foveated Radiance Field Rendering via 3D Gaussian Splatting and Neural Points
      In: Proceedings of the ACM on Computer Graphics and Interactive Techniques 8 (2025), Article No.: 18
      ISSN: 2577-6193
      DOI: 10.1145/3728302
    • Henningson JO., Semmler M., Döllinger M., Stamminger M.:
      Joint Segmentation and Sub-pixel Localization in Structured Light Laryngoscopy
      26th International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2023 (Vancouver, BC, 2023-10-08 - 2023-10-12)
      In: Hayit Greenspan, Hayit Greenspan, Anant Madabhushi, Parvin Mousavi, Septimiu Salcudean, James Duncan, Tanveer Syeda-Mahmood, Russell Taylor (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2023
      DOI: 10.1007/978-3-031-43987-2_4
    • Jehn C., Müller J., Kainz B.:
      Learnable Slice-to-volume Reconstruction for Motion Compensation in Fetal Magnetic Resonance Imaging
      Bildverarbeitung für die Medizin Workshop, BVM 2023 (Braunschweig, 2023-07-02 - 2023-07-04)
      In: Thomas M. Deserno, Heinz Handels, Andreas Maier, Klaus Maier-Hein, Christoph Palm, Thomas Tolxdorff (ed.): Informatik aktuell 2023
      DOI: 10.1007/978-3-658-41657-7_10
    • Chen G., Staffen N., Wu Z., Xu X., Pan J., Inoue A., Shi T., Gmeiner P., Du Y., Xu J.:
      Structural and functional characterization of the endogenous agonist for orphan receptor GPR3
      In: Cell Research 34 (2024), p. 262-265
      ISSN: 1001-0602
      DOI: 10.1038/s41422-023-00919-8
    • Raucheisen M., Attia D., Körber M., Crevillén AA., Hidalgo A., Beierlein F., Imhof P., Mokhir A.:
      Mitochondria-Catalyzed Activation of Anticancer Prodrugs
      In: ChemCatChem (2025)
      ISSN: 1867-3880
      DOI: 10.1002/cctc.202500054
    • Kainz B.:
      Keynote: Beyond Supervised Learning Exploring Novel Machine Learning Approaches for Robust Medical Image Analysis
      Bildverarbeitung für die Medizin Workshop, BVM 2023 (Braunschweig, 2023-07-02 - 2023-07-04)
      In: Thomas M. Deserno, Heinz Handels, Andreas Maier, Klaus Maier-Hein, Christoph Palm, Thomas Tolxdorff (ed.): Informatik aktuell 2023
      DOI: 10.1007/978-3-658-41657-7_1
    • Nishimura T., Dogaru A., Egger B.:
      ArCSEM: Artistic Colorization of SEM Images via Gaussian Splatting
      AI for Visual Arts Workshop and Challenges (AI4VA) in conjunction with European Conference on Computer Vision (ECCV) 2024, Milano, Italy (Mailand, 2024-09-29 - 2024-09-29)
      Open Access: https://arxiv.org/pdf/2410.21310
    • Bachhuber S., Weygers I., Seel T.:
      Neural ODEs for Data-driven Automatic Self-Design of Finite-time Output Feedback Control for Unknown Nonlinear Dynamics
      In: IEEE Control Systems Letters (2023), p. 1-1
      ISSN: 2475-1456
      DOI: 10.1109/LCSYS.2023.3293277
    • Erick F., Mina R., Müller J., Kainz B.:
      Uncertainty-Aware Vision Transformers for Medical Image Analysis
      In: Uncertainty for Safe Utilization of Machine Learning in Medical Imaging: 6th International Workshop, UNSURE 2024, Held in Conjunction with MICCAI 2024, Marrakesh, Morocco, October 10, 2024, Proceedings 2025
      DOI: 10.1007/978-3-031-73158-7_16
    • Oikonomou E., Juli Y., Kolan RR., Kern L., Gruber T., Alzheimer C., Krauß P., Maier A., Huth T.:
      A deep learning approach to real-time Markov modeling of ion channel gating.
      In: Communications Chemistry (2024), Article No.: 280
      ISSN: 2399-3669
      DOI: 10.1038/s42004-024-01369-y
    • Reynaud H., Qiao M., Dombrowski M., Day T., Razavi R., Gomez A., Leeson P., Kainz B.:
      Feature-Conditioned Cascaded Video Diffusion Models for Precise Echocardiogram Synthesis
      26th International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2023 (Vancouver, BC, 2023-10-08 - 2023-10-12)
      In: Hayit Greenspan, Hayit Greenspan, Anant Madabhushi, Parvin Mousavi, Septimiu Salcudean, James Duncan, Tanveer Syeda-Mahmood, Russell Taylor (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2023
      DOI: 10.1007/978-3-031-43999-5_14
    • Kluge C., Pöhnl M., Böckmann R.:
      Spontaneous local membrane curvature induced by transmembrane proteins
      In: Biophysical Journal 121 (2022), p. 671-683
      ISSN: 0006-3495
      DOI: 10.1016/j.bpj.2022.01.029
    • Calderon Reyes J., Ibrahim P., Gobbo D., Gervasio FL., Clark T.:
      Activation/Deactivation Free-Energy Profiles for the β2-Adrenergic Receptor: Ligand Modes of Action
      In: Journal of Chemical Information and Modeling 63 (2023), p. 6332-6343
      ISSN: 1549-9596
      DOI: 10.1021/acs.jcim.3c00805
    • Seeling M., Pöhnl M., Kara S., Horstmann N., Riemer C., Wöhner M., Liang C., Brückner C., Eiring P., Werner A., Biburger M., Altmann L., Schneider M., Amon L., Lehmann C., Lee S., Kunz M., Dudziak D., Schett G., Bäuerle T., Lux A., Tuckermann J., Vögtle T., Nieswandt B., Sauer M., Böckmann R., Nimmerjahn F.:
      Immunoglobulin G-dependent inhibition of inflammatory bone remodeling requires pattern recognition receptor Dectin-1
      In: Immunity 56 (2023), p. 1046-1063.e7
      ISSN: 1074-7613
      DOI: 10.1016/j.immuni.2023.02.019
    • Thies M., Wagner F., Maul N., Pfaff L., Schneider LS., Syben C., Maier A.:
      Optimizing CT Scan Geometries With and Without Gradients
      17th International Meeting on Fully Three-Dimensional Image Reconstruction in Radiology and Nuclear Medicine (Fully3D) (Stony Brook University, New York, 2023-07-16 - 2023-07-21)
      Open Access: https://arxiv.org/abs/2302.06251
    • Öttl M., Wilm F., Steenpaß J., Qiu J., Rübner M., Hartmann A., Beckmann M., Fasching P., Maier A., Erber R., Kainz B., Breininger K.:
      Style-Extracting Diffusion Models for Semi-supervised Histopathology Segmentation
      18th European Conference on Computer Vision, ECCV 2024 (Milan, 2024-09-29 - 2024-10-04)
      In: Aleš Leonardis, Elisa Ricci, Stefan Roth, Olga Russakovsky, Torsten Sattler, Gül Varol (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2025
      DOI: 10.1007/978-3-031-73226-3_14
    • Cechnicka S., Ball J., Baugh M., Reynaud H., Simmonds N., Smith AP., Horsfield C., Roufosse C., Kainz B.:
      URCDM: Ultra-Resolution Image Synthesis in Histopathology
      27th International Conference on Medical Image Computing and Computer-Assisted Intervention, MICCAI 2024 (Marrakesh, MAR, 2024-10-06 - 2024-10-10)
      In: Marius George Linguraru, Qi Dou, Aasa Feragen, Stamatia Giannarou, Ben Glocker, Karim Lekadir, Julia A. Schnabel (ed.): Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) 2024
      DOI: 10.1007/978-3-031-72083-3_50
      URL: https://link.springer.com/chapter/10.1007/978-3-031-72083-3_50
    • Trollmann M., Böckmann R.:
      Characterization of domain formation in complex membranes
      In: Biophysical Approaches for the Study of Membrane Structure, Academic Press Inc., 2024, p. 1-46 (Methods in Enzymology, Vol.701)
      DOI: 10.1016/bs.mie.2024.03.006
    • Mayr M., Neumeier K., Krenz J., Bürcky S., Kordon F., Seuret M., Zöllner J., Wu F., Maier A., Christlein V.:
      Data-efficient handwritten text recognition of diplomatic historical text
      In: Multimedia Tools and Applications (2025)
      ISSN: 1380-7501
      DOI: 10.1007/s11042-024-20545-9
      URL: https://link.springer.com/article/10.1007/s11042-024-20545-9
    • Stegmaier M., Schröder C., Müller J., Day T., Cuomo M., Dewald O., Dittrich S., Kainz B.:
      Automatic Segmentation of Lymphatic Perfusion in Patients with Congenital Single Ventricle Defects
      German Conference on Medical Image Computing, BVM 2024 (Erlangen, 2024-03-10 - 2024-03-12)
      In: Andreas Maier, Thomas M. Deserno, Heinz Handels, Klaus Maier-Hein, Christoph Palm, Thomas Tolxdorff (ed.): Bildverarbeitung für die Medizin 2024. BVM 2024, Wiesbaden: 2024
      DOI: 10.1007/978-3-658-44037-4_70


    • Yang Z., Koepf JA., Markl M., Körner C.:
      Effect of scanning strategies on grain structure and texture of additively manufactured lattice struts: A numerical exploration
      In: Advanced Engineering Materials (2024)
      ISSN: 1438-1656
      DOI: 10.1002/adem.202400661
    • Bosch E., Güse E., Kirchner P., Winterpacht A., Walther M., Alders M., Kerkhof J., Ekici AB., Sticht H., Sadikovic B., Reis A., Vasileiou G.:
      The missing link: ARID1B non-truncating variants causing Coffin-Siris syndrome due to protein aggregation
      In: Human genetics (2024)
      ISSN: 0340-6717
      DOI: 10.1007/s00439-024-02688-9
    • Kumar P., Steinmann P., Mergheim J.:
      A graded interphase enhanced phase-field approach for modeling fracture in polymer composites
      In: Forces in Mechanics 9 (2022), Article No.: 100135
      ISSN: 2666-3597
      DOI: 10.1016/j.finmec.2022.100135
    • Linck-Paulus L., Horn A., Matthies AO., Fischer S., Meister G., Sticht H., Kappelmann-Fenzl M., Boßerhoff AK.:
      A novel splice variant of Argonaut 2 affects microRNA target genes and cell viability of melanoma cells
      In: JOURNAL DER DEUTSCHEN DERMATOLOGISCHEN GESELLSCHAFT, HOBOKEN: 2022
    • Ruppelt D., Trollmann M., Dema T., Wirtz SN., Flegel H., Mönnikes S., Grond S., Böckmann R., Steinem C.:
      The antimicrobial fibupeptide lugdunin forms water-filled channel structures in lipid membranes
      In: Nature Communications 15 (2024), Article No.: 3521
      ISSN: 2041-1723
      DOI: 10.1038/s41467-024-47803-6
    • Koller TM., Jander JH., Hewa Kankanamge CJK., Braun L., Chittem PK., Kerscher M., Rausch MH., Klein T., Wasserscheid P., Fröba AP.:
      Thermophysical Properties of the Hydrogen Carrier System Based on Aqueous Solutions of Isopropanol or Acetone
      In: International Journal of Thermophysics 45 (2024), Article No.: 156
      ISSN: 0195-928X
      DOI: 10.1007/s10765-024-03449-6
    • Conrad M., Horn A., Sticht H.:
      Computational Analysis of Histamine Protonation Effects on H1R Binding
      In: Molecules 28 (2023), Article No.: 3774
      ISSN: 1420-3049
      DOI: 10.3390/molecules28093774
    • Czwielong F., Benz J., Ocker C., Renz A., Sedlmajer M., Merkel M., Becker S.:
      ON THE AEROACOUSTIC PROPERTIES OF A PRANDTL-FAN
      ASME Turbo Expo 2023: Turbomachinery Technical Conference and Exposition, GT 2023 (Boston, MA, USA, 2023-06-26 - 2023-06-30)
      In: Proceedings of the ASME Turbo Expo 2023
      DOI: 10.1115/GT2023-103898
    • Benz J., Czwielong F., Renz A., Ocker C., Sedlmajer M., Merkel M., Schoder S., Becker S.:
      INFLUENCE OF CHORD LENGTH AND LOAD DISTRIBUTION MODIFICATION ON THE SOUND EMISSION AND EFFICIENCY OF A BENCHMARK FAN
      10th Convention of the European Acoustics Association, EAA 2023 (Torino, ITA, 2023-09-11 - 2023-09-15)
      In: Proceedings of Forum Acusticum 2023
    • Kropac E., Mölg T., Cullen NJ.:
      16-year WRF simulation for the Southern Alps of New Zealand
      (2023)
      DOI: 10.26050/WDCC/NZ-PROXY_16yrWRF
      URL: https://www.wdc-climate.de/ui/entry?acronym=NZ-PROXY_16yrWRF
    • Gillen R., Maultzsch J.:
      Semimetallic 2D Defective Graphene Networks with Periodic 4–8 Defect Lines
      In: physica status solidi (b) (2025)
      ISSN: 0370-1972
      DOI: 10.1002/pssb.202500009
    • Kropac E., Mölg T., Cullen NJ.:
      A new, high-resolution atmospheric dataset for southern New Zealand, 2005–2020
      In: Geoscience Data Journal 11 (2024), p. 873-895
      ISSN: 2049-6060
      DOI: 10.1002/gdj3.263
      URL: https://rmets.onlinelibrary.wiley.com/doi/10.1002/gdj3.263
    • Kropac E., Mölg T., Cullen NJ.:
      A new, high-resolution climatological atmospheric dataset for southern New Zealand
      EGU General Assembly 2023 (Wien, 2023-04-23 - 2023-04-28)
      DOI: 10.5194/egusphere-egu23-14262
    • Adelhardt P., Koziol J., Langheld A., Schmidt KP.:
      Monte Carlo Based Techniques for Quantum Magnets with Long-Range Interactions
      In: Entropy 26 (2024), p. 401
      ISSN: 1099-4300
      DOI: 10.3390/e26050401
    • Duft A., Koziol J., Adelhardt P., Mühlhauser M., Schmidt KP.:
      Order-by-disorder in the antiferromagnetic J1-J2-J3 transverse-field Ising model on the ruby lattice
      In: Physical Review Research 6 (2024), Article No.: 033339
      ISSN: 2643-1564
      DOI: 10.1103/PhysRevResearch.6.033339
    • Alt C., Lanser M., Plewinski J., Janki A., Klawonn A., Köstler H., Selzer M., Rüde U.:
      A continuous benchmarking infrastructure for high-performance computing applications
      In: International Journal of Parallel, Emergent and Distributed Systems (2024)
      ISSN: 1744-5760
      DOI: 10.1080/17445760.2024.2360190
    • Chen G., Staffen N., Wu Z., Xu X., Pan J., Inoue A., Shi T., Gmeiner P., Du Y., Xu J.:
      Structural and functional characterization of the endogenous agonist for orphan receptor GPR3
      In: Cell Research 34 (2024), p. 262-265
      ISSN: 1001-0602
      DOI: 10.1038/s41422-023-00919-8
    • Weber F., Ries M., Bauer C., Wick C., Pfaller S.:
      On equilibrating non-periodic molecular dynamics samples for coupled particle-continuum simulations of amorphous polymers
      In: Forces in Mechanics 10 (2023), Article No.: 100159
      ISSN: 2666-3597
      DOI: 10.1016/j.finmec.2022.100159
      URL: https://nbn-resolving.org/urn:nbn:de:bvb:29-opus4-200639
    • Deubler M., Weißenborn L., Leukel S., Horn A., Eichler J., Sticht H.:
      Computational Characterization of the Binding Properties of the HIV1-Neutralizing Antibody PG16 and Design of PG16-Derived CDRH3 Peptides
      In: Biology 12 (2023), Article No.: 824
      ISSN: 2079-7737
      DOI: 10.3390/biology12060824
    • Landshuter N., Aemisegger F., Mölg T.:
      Stable Water Isotope Signals and Their Relation to Stratiform and Convective Precipitation in the Tropical Andes
      In: Journal of Geophysical Research: Atmospheres 129 (2024), Article No.: e2023JD040630
      ISSN: 2169-897X
      DOI: 10.1029/2023JD040630
    • Thönnes D., Rüde U.:
      Performance Modeling of Generated Stencil Kernels within the HyTeG Framework
      Platform for Advanced Scientific Computing (PASC) Conference (Basel, Switzerland, 2022-06-27 - 2022-06-29)
    • Boonsawat P., Asadollahi R., Niedrist D., Steindl K., Begemann A., Joset P., Bhoj EJ., Li D., Zackai E., Vetro A., Barba C., Guerrini R., Whalen S., Keren B., Khan A., Jing D., Palomares Bralo M., Rikeros Orozco E., Hao Q., Schlott Kristiansen B., Zheng B., Donnelly D., Clowes V., Zweier M., Papik M., Siegel G., Sabatino V., Mocera M., Horn AH., Sticht H., Rauch A.:
      Deleterious ZNRF3 germline variants cause neurodevelopmental disorders with mirror brain phenotypes via domain-specific effects on Wnt/β-catenin signaling
      In: American Journal of Human Genetics (2024)
      ISSN: 0002-9297
      DOI: 10.1016/j.ajhg.2024.07.016
    • Mergheim J., Breuning C., Burkhardt C., Hübner D., Köpf J., Herrnböck L., Yang Z., Körner C., Markl M., Steinmann P., Stingl M.:
      Additive manufacturing of cellular structures: Multiscale simulation and optimization
      In: Journal of Manufacturing Processes 95 (2023), p. 275-290
      ISSN: 1526-6125
      DOI: 10.1016/j.jmapro.2023.03.071
    • Oikonomou E., Juli Y., Kolan RR., Kern L., Gruber T., Alzheimer C., Krauß P., Maier A., Huth T.:
      A deep learning approach to real-time Markov modeling of ion channel gating.
      In: Communications Chemistry (2024), Article No.: 280
      ISSN: 2399-3669
      DOI: 10.1038/s42004-024-01369-y
    • Wittkämper H., Hock R., Weißer M., Dallmann J., Vogel C., Raman N., Tacardi N., Haumann M., Wasserscheid P., Hsieh TE., Maisel S., Moritz M., Wichmann C., Frisch J., Gorgoi M., Wilks RG., Bär M., Wu M., Spiecker E., Görling A., Unruh T., Steinrück HP., Papp C.:
      Isolated Rh atoms in dehydrogenation catalysis
      In: Scientific Reports 13 (2023), p. 4458-
      ISSN: 2045-2322
      DOI: 10.1038/s41598-023-31157-y
    • Kropac E., Mölg T., Teichert S.:
      The potential of coralline algae as SST proxy and for climate model evaluation: A New Zealand case study
      EGU General Assembly 2022 (Wien, 2022-05-23 - 2022-05-27)
      DOI: 10.5194/egusphere-egu22-6353
      URL: https://meetingorganizer.copernicus.org/EGU22/EGU22-6353.html
    • Linck-Paulus L., Meißgeier T., Pieger K., Horn A., Matthies AO., Fischer S., Meister G., Sticht H., Kappelmann-Fenzl M., Boßerhoff AK.:
      A previously unknown Argonaute 2 variant positively modulates the viability of melanoma cells
      In: Cellular and Molecular Life Sciences 79 (2022), Article No.: 475
      ISSN: 1420-682X
      DOI: 10.1007/s00018-022-04496-8
    • Kluge C., Pöhnl M., Böckmann R.:
      Spontaneous local membrane curvature induced by transmembrane proteins
      In: Biophysical Journal 121 (2022), p. 671-683
      ISSN: 0006-3495
      DOI: 10.1016/j.bpj.2022.01.029
    • Calderon Reyes J., Ibrahim P., Gobbo D., Gervasio FL., Clark T.:
      Activation/Deactivation Free-Energy Profiles for the β2-Adrenergic Receptor: Ligand Modes of Action
      In: Journal of Chemical Information and Modeling 63 (2023), p. 6332-6343
      ISSN: 1549-9596
      DOI: 10.1021/acs.jcim.3c00805
    • Calderon Reyes J., Ibrahim P., Gobbo D., Gervasio FL., Clark T.:
      Determinants of Neutral Antagonism and Inverse Agonism in the β2-Adrenergic Receptor
      In: Journal of Chemical Information and Modeling 64 (2024), p. 2045-2057
      ISSN: 1549-9596
      DOI: 10.1021/acs.jcim.3c01763
    • Seeling M., Pöhnl M., Kara S., Horstmann N., Riemer C., Wöhner M., Liang C., Brückner C., Eiring P., Werner A., Biburger M., Altmann L., Schneider M., Amon L., Lehmann C., Lee S., Kunz M., Dudziak D., Schett G., Bäuerle T., Lux A., Tuckermann J., Vögtle T., Nieswandt B., Sauer M., Böckmann R., Nimmerjahn F.:
      Immunoglobulin G-dependent inhibition of inflammatory bone remodeling requires pattern recognition receptor Dectin-1
      In: Immunity 56 (2023), p. 1046-1063.e7
      ISSN: 1074-7613
      DOI: 10.1016/j.immuni.2023.02.019
    • Krämer C., Koziol J., Langheld A., Hörmann M., Schmidt KP.:
      Quantum-critical properties of the one- and two-dimensional random transverse-field Ising model from large-scale quantum Monte Carlo simulations
      In: SciPost Physics 17 (2024), Article No.: 061
      ISSN: 2542-4653
      DOI: 10.21468/SciPostPhys.17.2.061
    • Adelhardt P., Duft A., Schmidt KP.:
      Quantum-critical and dynamical properties of the XXZ bilayer with long-range interactions
      In: Physical Review B 111 (2025), Article No.: 024409
      ISSN: 0163-1829
      DOI: 10.1103/PhysRevB.111.024409
    • Trollmann M., Böckmann R.:
      Characterization of domain formation in complex membranes
      In: Biophysical Approaches for the Study of Membrane Structure, Academic Press Inc., 2024, p. 1-46 (Methods in Enzymology, Vol.701)
      DOI: 10.1016/bs.mie.2024.03.006
    • Zanoni P., Steindl K., Sticht H., Oneda B., Joset P., Ivanovski I., Horn AH., Cabello EM., Laube J., Zweier M., Baumer A., Rauch A., Khan N.:
      The genetic landscape and clinical implication of pediatric Moyamoya angiopathy in an international cohort
      In: European Journal of Human Genetics (2023)
      ISSN: 1018-4813
      DOI: 10.1038/s41431-023-01320-0
    • Calderón JC., Plut E., Keller M., Cabrele C., Reiser O., Gervasio FL., Clark T.:
      Extended Metadynamics Protocol for Binding/Unbinding Free Energies of Peptide Ligands to Class A G-Protein-Coupled Receptors
      In: Journal of Chemical Information and Modeling 64 (2024), p. 205-218
      ISSN: 1549-9596
      DOI: 10.1021/acs.jcim.3c01574
    • Calderon Reyes J., Ibrahim P., Gobbo D., Gervasio FL., Clark T.:
      General Metadynamics Protocol To Simulate Activation/Deactivation of Class A GPCRs: Proof of Principle for the Serotonin Receptor
      In: Journal of Chemical Information and Modeling 63 (2023), p. 3105-3117
      ISSN: 1549-9596
      DOI: 10.1021/acs.jcim.3c00208
    • Pöhnl M., Kluge C., Böckmann R.:
      Lipid Bicelles in the Study of Biomembrane Characteristics
      In: Journal of Chemical Theory and Computation (2023)
      ISSN: 1549-9618
      DOI: 10.1021/acs.jctc.3c00085
    • Pöhnl M., Trollmann M., Böckmann R.:
      Nonuniversal impact of cholesterol on membranes mobility, curvature sensing and elasticity
      In: Nature Communications 14 (2023), Article No.: 8038
      ISSN: 2041-1723
      DOI: 10.1038/s41467-023-43892-x
    • Hewa Kankanamge CJK., Zhan T., Zhang Z., Klein T., Fröba AP.:
      Influence of the Molecular Characteristics of the Solvent and the Solute Cation on Diffusive Mass Transport in Binary Electrolyte Mixtures by Dynamic Light Scattering and Molecular Dynamics Simulations
      In: Journal of The Electrochemical Society 171 (2024), Article No.: 110533
      ISSN: 0013-4651
      DOI: 10.1149/1945-7111/ad92df
    • Hewa Kankanamge CJK., Klein T., Fröba AP.:
      Diffusion Coefficients in Electrolyte Mixtures─Influence of the Solute Characteristics
      In: Journal of Chemical and Engineering Data 70 (2025), p. 1300–1311
      ISSN: 0021-9568
      DOI: 10.1021/acs.jced.4c00671
    • Laukemann J., Gruber T., Hager G., Oryspayev D., Wellein G.:
      CloverLeaf on Intel Multi-Core CPUs: A Case Study in Write-Allocate Evasion
      38th IEEE International Parallel and Distributed Processing Symposium, IPDPS 2024 (San Francisco, CA, 2024-05-27 - 2024-05-31)
      In: 2024 IEEE International Parallel and Distributed Processing Symposium (IPDPS) 2024
      DOI: 10.1109/IPDPS57955.2024.00038
    • Krumbholz M., Dolnik A., Sträng E., Ghete T., Skambraks S., Hutter S., Simonis A., Stegelmann F., Suttorp M., Horn A., Sticht H., Haferlach T., Bullinger L., Metzler M.:
      A high proportion of germline variants in pediatric chronic myeloid leukemia
      In: Molecular Cancer 23 (2024), Article No.: 206
      ISSN: 1476-4598
      DOI: 10.1186/s12943-024-02109-5

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