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BioExcel Webinar: What’s new in GROMACS 2023

25.4.2023 15:00 +02:00 CEST - 25.4.2023 16:00 +02:00 CEST




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Andrey Alekseenko, SciLifeLab (Science for Life Laboratory), Stockholm, Sweden

Andrey Alekseenko is a researcher at SciLifeLab and KTH Royal University of Technology in Stockholm.
He is one of the core developers of GROMACS and is working on using SYCL for performance and portability across different GPU architectures.


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Berk Hess, KTH Royal Institute of Technology, Stockholm, Sweden

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.

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Szilárd Páll, PCD Center for High Performance Computing at KTH Royal Institute of Technology, Stockholm, Sweden

Szilárd Páll is an HPC researcher at the PCD Center for High Performance Computing at KTH Royal
Institute of Technology in Stockholm. He has a background in computer science and computational
biophysics and has worked with GPU accelerators for scientific computing since 2008. He helped reformulating key parallel algorithms in molecular dynamics for modern processor architectures, and co-authored the first heterogeneous CPU-GPU parallelization of GROMACS. His recent focus is on efficient asynchronous task scheduling and strong scaling MD on exascale heterogeneous architectures.


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Event time


25.4.2023 15:00 +02:00 CEST


25.4.2023 16:00 +02:00 CEST

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