BioExcel Webinar: What’s new in GROMACS 2025

Date: February 18th, 2025, 15:00 CEST / 16:00 EEST

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.

Duration: 1 Hour

Webinar will be hosted on ZOOM (install the latest Zoom application before the webinar via https://zoom.us/download)

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. 

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!