Szilárd Páll

Statistics

Publications

Citations

36K

H-Index

Active since

2013

Affiliations

KTH Royal Institute of Technology(Current)

Science for Life Laboratory

Stockholm University

Oak Ridge National Laboratory

Max Planck Institute for Biophysical Chemistry

Szilárd Páll is an author at KTH Royal Institute of Technology specializing in computational chemistry, high-performance computing, and molecular dynamics.

ORCID

Publications per year

2013–2023

Publications

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

M Abraham, Teemu J. Murtola, Roland Schulz et al. · SoftwareX · 2015 · 26.8K citations · Full text

Computing, Computer Science, High-performance Computing +11

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

Sander Pronk, Szilárd Páll, Roland Schulz et al. · Bioinformatics · 2013 · 7.6K citations · Full text

Natural Sciences, Chemistry, High-performance Computing +17

A flexible algorithm for calculating pair interactions on SIMD architectures

Szilárd Páll, Berk Hess · Computer Physics Communications · 2013 · 747 citations · Full text

Computing, Computer Engineering, Computer Science +10

More bang for your buck: Improved use of GPU nodes for GROMACS 2018

Carsten Kutzner, Szilárd Páll, Martin Fechner et al. · Journal of Computational Chemistry · 2019 · 419 citations · Full text

Computing, Computer Science, High-performance Computing +17

Best bang for your buck: GPU nodes for <scp>GROMACS</scp> biomolecular simulations

Carsten Kutzner, Szilárd Páll, Martin Fechner et al. · Journal of Computational Chemistry · 2015 · 260 citations · Full text

Computing, Computer Science, High-performance Computing +17

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