BioExcel Webinar: What’s new in GROMACS 2025
BioExcel, the leading European Centre of Excellence for computational biomolecular research, aims to support Life Science academic and industrial researchers in the effective use of HPC biomolecular software and continues BioExcel’s webinar series with its top experts in biomolecular modelling and simulations tools. Welcome!
| Date: | February 18th, 2025 |
| Time: | 15:00 CEST (Central European Summer Time) UTC/GMT + 2h |
| 16:00 EEST (Eastern European Summer Time) UTC/GMT + 3 h | |
| Please do not forget to take into consideration the different time zones of joining the webinar! | |
| Duration: | 1 hour |
| Tool: | ZOOM (install the latest Zoom application before the webinar via https://zoom.us/download) |
Webinar: What’s new in GROMACS 2025
This webinar gives an overview of the new features and performance improvements that have been included in the recently released 2025 version of GROMACS. Main new features are including of a (limited) interface to the Plumed package and support for more force fields forms and neural network potentials. Performance improvements include automatically turning on more GPU features, an initial version of a HIP backend targeting AMD GPUs and more OpenMP parallelization.
Registration
Please register below! You will then receive a confirmation email.
Presenters
Berk Hess is a professor of Theoretical Biophysics at KTH. He has designed algorithms for the GROMACS simulation package for over two decades. His current research focuses on advanced sampling methods, aggregation of molecules and studying wetting of surfaces at the molecular scale.
Järjestäjä
