966 citations · 1k across the 3 of their papers we have counts for
3 papers
astro-ph.IM2025★ 1 cited
Lossy Compression of Scientific Data: Applications Constrains and Requirements
Franck Cappello, Allison Baker, Ebru Bozda +22
Increasing data volumes from scientific simulations and instruments (supercomputers, accelerators, telescopes) often exceed network, storage, and analysis capabilities. The scienti…
q-bio.BM2024★ 65 cited
The need to implement FAIR principles in biomolecular simulations
Rommie Amaro, Johan Åqvist, Ivet Bahar +125
This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necess…
physics.comp-ph2020★ 966 cited
Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS
Szilárd Páll, Artem Zhmurov, Paul Bauer +5
The introduction of accelerator devices such as graphics processing units (GPUs) has had profound impact on molecular dynamics simulations and has enabled order-of-magnitude perfor…