The fourth annual NHR Conference was organized by the NHR Alliance in cooperation with the Paderborn Center for Parallel Computing (PC²) and took place from September 14 to 17, 2026, at the Heinz Nixdorf MuseumsForum (HNF) in Paderborn. The event rotates annually among the nine NHR centers, bringing together HPC users and experts from across the NHR community to present their work, exchange ideas, and connect with other NHR teams.
This year’s conference program focused on the three main topics “HPC-Driven Decision Science: Optimization, Simulation, and AI for Economics and Management,” “Advances in Atomistic Simulations,” and “Low and Mixed Precision Computing for Simulation and AI.” The conference was once again structured in two parts. September 14 and 15 were dedicated to the scientific program, featuring keynote and contributed talks on current developments in HPC, simulation, optimization, and AI. The remaining two days offered opportunities for discussion, networking, workshops, and specialized coaching sessions, providing participants with additional opportunities to share ideas and explore potential collaborations.
NHR@FAU Contributions
NHR@FAU was represented at the conference in several ways, with researchers contributing to both the scientific program and the wider NHR community.
Our liaison scientist Marius Trollmann (Computational Biology) presented his talk “Decoding pH-Driven Phase Transition of Lipid Nanoparticles.” His presentation highlighted how large-scale molecular dynamics simulations can provide detailed insights into the behavior of lipid nanoparticles and help elucidate the molecular mechanisms underlying their pH-dependent structural changes.
Yusuf Eren Tunç and Jorge Antonio Amador Balderas, NHR Graduate School Fellows at NHR@FAU, showcased their research in the poster session.
Yusuf Eren Tunç (Computational Biology) presented the poster “Resolution-Switching in Biomembrane Simulations with Graph Neural Networks.” His research combines molecular simulations with graph neural networks to explore more flexible and computationally efficient approaches to simulating complex biomembrane systems.
Jorge Antonio Amador Balderas (Computational Chemistry) presented the poster “Computational Insights into DNA Repair Enzyme MBD4.” His research uses computational methods to investigate the molecular mechanisms of MBD4, a DNA repair enzyme involved in the recognition and processing of damaged DNA.
Together, these three contributions demonstrate the breadth of research conducted at NHR@FAU, while also highlighting the interplay between HPC, molecular modeling, and machine learning.
Women in HPC: Supporting an Inclusive HPC Community
Another highlight of the program was the Women in HPC (WHPC) working group meeting. The NHR|WHPC Chapter was co-founded by Ayesha Afzal from NHR@FAU and is part of the broader effort to strengthen diversity and inclusion within the HPC community.
The meeting (moderated by Dr. Sadaf Ehtesabi from PC2) opened with presentations of three female graduate school fellows, giving a glimpse into their experiences, career paths, and professional development, as well as challenges on their scientific journey. Afterward, two focus groups addressed specific topics related to the empowerment of women in the field of supercomputing. By creating a space for networking, mentoring, and open discussion, the WHPC initiative supports researchers at different stages of their careers and contributes to a more diverse and inclusive HPC environment.
Thank you for a great NHR Conference 2026—and see you next year!
Once again, we felt very welcome as guests at another NHR center. We would like to thank the Paderborn Center for Parallel Computing (PC²) and the NHR Alliance for the smooth organization, the inspiring scientific program, and the many opportunities for scientific exchange and networking. The Heinz Nixdorf MuseumsForum provided a particularly fitting setting for an event dedicated to the future of HPC.
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