Szilárd Páll

Publication Activity (10 Years)

Years Active: 2011-2024
Publications (10 Years): 8

Top Topics

Scientific Computing

Recent Advances

Top Venues

J. Comput. Chem.

Publications

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)