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Szilárd Páll
ORCID
Publication Activity (10 Years)
Years Active: 2011-2024
Publications (10 Years): 8
Top Topics
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Scientific Computing
Recent Advances
Shortest Path
Top Venues
CoRR
IWOCL
J. Comput. Chem.
EASC
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Publications
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Andrey Alekseenko
,
Szilárd Páll
,
Erik Lindahl
GROMACS on AMD GPU-Based HPC Platforms: Using SYCL for Performance and Portability.
CoRR
(2024)
Andrey Alekseenko
,
Szilárd Páll
Comparing the Performance of SYCL Runtimes for Molecular Dynamics Applications.
IWOCL
(2023)
Niclas Jansson
,
Martin Karp
,
Adalberto Perez
,
Timofey Mukha
,
Yi Ju
,
Jiahui Liu
,
Szilárd Páll
,
Erwin Laure
,
Tino Weinkauf
,
Jörg Schumacher
,
Philipp Schlatter
,
Stefano Markidis
Exploring the Ultimate Regime of Turbulent Rayleigh-Bénard Convection Through Unprecedented Spectral-Element Simulations.
SC
(2023)
Andrey Alekseenko
,
Szilárd Páll
,
Erik Lindahl
Experiences With Adding SYCL Support to GROMACS.
IWOCL
(2021)
Szilárd Páll
,
Artem A. Zhmurov
,
Paul Bauer
,
Mark James Abraham
,
Magnus Lundborg
,
Alan Gray
,
Berk Hess
,
Erik Lindahl
Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS.
CoRR
(2020)
Carsten Kutzner
,
Szilárd Páll
,
Martin Fechner
,
Ansgar Esztermann
,
Bert L. de Groot
,
Helmut Grubmüller
More bang for your buck: Improved use of GPU nodes for GROMACS 2018.
J. Comput. Chem.
40 (27) (2019)
Carsten Kutzner
,
Szilárd Páll
,
Martin Fechner
,
Ansgar Esztermann
,
Bert L. de Groot
,
Helmut Grubmüller
More Bang for Your Buck: Improved use of GPU Nodes for GROMACS 2018.
CoRR
(2019)
Szilárd Páll
,
Roland Schulz
Advances in the OpenCL offload support in GROMACS.
IWOCL
(2019)
Carsten Kutzner
,
Szilárd Páll
,
Martin Fechner
,
Ansgar Esztermann
,
Bert L. de Groot
,
Helmut Grubmüller
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations.
CoRR
(2015)
Szilárd Páll
,
Mark James Abraham
,
Carsten Kutzner
,
Berk Hess
,
Erik Lindahl
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS.
CoRR
(2015)
Carsten Kutzner
,
Szilárd Páll
,
Martin Fechner
,
Ansgar Esztermann
,
Bert L. de Groot
,
Helmut Grubmüller
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations.
J. Comput. Chem.
36 (26) (2015)
Szilárd Páll
,
Mark James Abraham
,
Carsten Kutzner
,
Berk Hess
,
Erik Lindahl
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS.
EASC
(2014)
Sander Pronk
,
Szilárd Páll
,
Roland Schulz
,
Per Larsson
,
Pär Bjelkmar
,
Rossen Apostolov
,
Michael R. Shirts
,
Jeremy C. Smith
,
Peter M. Kasson
,
David van der Spoel
,
Berk Hess
,
Erik Lindahl
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit.
Bioinform.
29 (7) (2013)
Szilárd Páll
,
Berk Hess
A flexible algorithm for calculating pair interactions on SIMD architectures.
Comput. Phys. Commun.
184 (12) (2013)
Szilárd Páll
,
Berk Hess
,
Erik Lindahl
Poster: 3D tixels: a highly efficient algorithm for gpu/cpu-acceleration of molecular dynamics on heterogeneous parallel architectures.
SC Companion
(2011)