The Molecular Modeling Workshop 2025 in Recap
From March 31 to April 2, 2025, the Chemikum hosted the conference “Molecular Modeling Workshop” (MMWS) in its 37th year. Organized again by the Computer Chemistry Center (CCC) of the Friedrich-Alexander-Universität (FAU), these three days saw presentations of all facets from the still growing field of molecular modeling, from classical cheminformatics to molecular dynamics, from machine-learning to quantum chemistry, from physics to materials and life sciences and to biology and medicine.
Four plenary speakers from Germany, the United Kingdom, and Israel gave an in-depth view into their work, and almost 20 talks by master and PhD students as well as Postdocs illustrated the broad area of computational applications. A poster session also allowed participants to share their scientific results with the community.
The original intention of the MMWS was to provide young scientists with an opportunity to present their work—even their work in progress—in order to obtain feedback from peers and senior scientists and get in touch with members from academia and industry. A perfect scientific event, also for some users of the NHR@FAU systems.
NHR@FAU supported the MMWS both as a financial sponsor and as an active participant. The “NHR@FAU day” of the conference was started by a talk by Anna Kahler about benchmarking and tuning the molecular dynamics package Gromacs on our local systems. Several Erlangen liaison scientists joined the event, presenting a poster about getting access to the NHR@FAU compute clusters and getting involved in lively discussions.
Further information, including the book of abstracts and the names of the awardees for poster and presentation prizes, can be found at the conference website.
Looking forward to seeing you at the 38th MMWS in Erlangen next year!
written by Anselm Horn, NHR@FAU