Publications by MPCDF

Kutzner, C.; Miletić, V.; Rodríguez, K. P.; Rampp, M.; Hummer, G.; de Groot, B. L.; Grubmüller, H.: Scaling of the GROMACS Molecular Dynamics Code to 65k CPU Cores on an HPC Cluster. Journal of Computational Chemistry 46 (5), e70059 (2025)

Bonafé, F. P.; Albar, E. I.; Ohlmann, S. T.; Kosheleva, V. P.; Bustamante, C. M.; Troisi, F.; Rubio, A.; Appel, H.: Full minimal coupling Maxwell-TDDFT: An ab initio framework for light-matter interaction beyond the dipole approximation. Physical Review B 111 (8), 085114 (2025)

Ruzicka, J.; Asch, C.; Meneses, E.; Rampp, M.; Laure, E.: A Study of Performance Portability in Plasma Physics Simulations. In: High Performance Computing: 11th Latin American High Performance Computing Conference CARLA 2024 Santiago de Chile, Chile, September 30 – October 4, 2024 Revised Selected Papers, pp. 19 - 35 (Eds. Li, G.; Filipe, J.). 11th Latin American High Performance Computing Conference CARLA 2024, Santiago de Chile, Chile, September 30, 2024 - October 04, 2024. Springer Cham, Midtown Manhattan, New York City (2025)