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Szilárd Páll
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5
GROMACS on AMD GPU-Based HPC Platforms: Using SYCL for Performance and Portability
2 May 2024 by
Alexander Alekseenko
and
others
Distributed, Parallel, and Cluster Computing
,
Computational Engineering, Finance, and Science
Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS
7 September 2020 by
Szilárd Páll
and
others
Computational Physics
,
Distributed, Parallel, and Cluster Computing
More Bang for Your Buck: Improved use of GPU Nodes for GROMACS 2018
13 June 2019 by
Carsten Kutzner
and
others
Distributed, Parallel, and Cluster Computing
,
Performance
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations
3 July 2015 by
Carsten Kutzner
and
others
Distributed, Parallel, and Cluster Computing
,
Performance
A flexible algorithm for calculating pair interactions on SIMD architectures
7 June 2013 by
Szilárd Páll
and
Berk Hess
Computational Physics
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Key points
Topics
Computational Physics
Distributed, Parallel, and Cluster Computing
Performance
Biological Physics
Biomolecules
Computational Engineering, Finance, and Science
Data Structures and Algorithms
