Chemistry

Ab-initio MD Simulations of Liquid Metals, S. Maisel (Chair of Theoretical Chemistry) – 12/2017
DFT investigation of CPP-fullerene and WF3/o-IDTBR, S. Führwald (Chair of Theoretical Chemistry) – 12/2017
MD Simulations of Mesoporous Silica Formation, B. Becit (Professorship of Theoretical Chemistry) – 01/2018
Molecular Dynamics Simulation of Metal Patch Formation on Silica Nanoparticles, S. Sansotta (Professorship of Theoretical Chemistry) – 01/2018
Molecular Simulation studies on Magnetite Collagen Intergrowth, T. Kollmann (Professorship of Theoretical Chemistry) – 01/2018
Deactivation of Hazardous Chemicals at Oxide Surfaces, T. Klöffel (Interdisciplinary Center for Molecular Materials) – 02/2018
Chemical Functionalization of Oxide Surfaces, P. Schwarz (Interdisciplinary Center for Molecular Materials) – 02/2018
Molecular Friction in Graphite Intercalation Compounds, S. Seiler (Interdisciplinary Center for Molecular Materials) – 02/2018
Electronic Structure Elucidation for Catalysis and Electronic Organic Materials, Dr. D. Munz (Chair of Inorganic and General Chemistry) – 06/2019
How acidic are atoms?, Prof. B. Meyer (Interdisciplinary Center for Molecular Materials) – 04/2021
Molecular dynamics simulation of Solid Catalysts with ionic liquid layers and co-adsorbed carbon monoxide molecules, S. Trzeciak (Professorship of Theoretical Chemistry) – 05/2022
Modeling of epoxy resins: scale-bridging of formation and fracture dynamic, J. Konrad (Professorship of Theoretical Chemistry) – 05/2022