Concepedia

Szilárd Páll

SP

7

Publications

34K

Citations

7

H-Index

2013

Active since

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 engineering, molecular simulation, and computational chemistry.

Top concepts

EngineeringBiophysicsParallel ComputingMolecular SimulationParallel ProgrammingComputer ArchitectureComputational ChemistryPhysicsFormal MethodsComputer Science

Publications per year

2013–2023

7

Publications

7

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

M Abraham, Teemu J. Murtola, Roland Schulz et al. · SoftwareX · 2015 · 25K citations · Full text

Massively-parallel Computing, Engineering, Computational Biology +12

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

Sander Pronk, Szilárd Páll, Roland Schulz et al. · Bioinformatics · 2013 · 7.4K citations · Full text

A flexible algorithm for calculating pair interactions on SIMD architectures

Szilárd Páll, Berk Hess · Computer Physics Communications · 2013 · 722 citations · Full text

Hardware Modeling, Engineering, Computer Design +13

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 · 400 citations · Full text

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 · 252 citations · Full text

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