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S

Szilárd Páll

Royal Institute of Technology
H指数:8
被引数:3.5万
浏览量:0

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Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS

GROMACS中分子动力学模拟的异构并行化和加速

JOURNAL OF CHEMICAL PHYSICS
IF3.1
2020-10-05414
OAAI
Pall, Szilard; Zhmurov, Artem; Bauer, Paul; Abraham, Mark; Lundborg, Magnus; Gray, Alan; Hess, Berk; Lindahl, Erik
More bang for your buck: Improved use of GPU nodes for GROMACS 2018
JOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
2019-07-01311
OAAI
Kutzner, Carsten; Pall, Szilard; Fechner, Martin; Eszternnann, Ansgar; de Groot, Bert L.; Grubmueller, Helmut
Direct-Space Corrections Enable Fast and Accurate Lorentz-Berthelot Combination Rule Lennard-Jones Lattice Summation

直接空间校正可实现快速准确的lorentz-berthelot组合规则lennard-jones晶格求和

JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
2015-11-20124
OA
Wennberg, Christian L.; Murtola, Teemu; Pall, Szilard; Abraham, Mark J.; Hess, Berk; Lindahl, Erik
Best bang for your buck: GPU nodes for GROMACS biomolecular simulations
JOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
2015-08-04207
OAAI
Kutzner, Carsten; Pall, Szilard; Fechner, Martin; Esztermann, Ansgar; de Groot, Bert L.; Grubmueller, Helmut
A flexible algorithm for calculating pair interactions on SIMD architectures

在SIMD体系结构上计算对交互的灵活算法

COMPUTER PHYSICS COMMUNICATIONS
IF3.4
2013-12-01504
PREAI
Pall, Szilard; Hess, Berk

研究方向

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B
Berk Hess
H 指数:46论文数:175被引数:10.7万
E
Erik Lindahl
H 指数:64论文数:664被引数:9.5万
C
Carsten Kutzner
H 指数:18论文数:65被引数:1.9万
M
M Abraham
H 指数:10论文数:38被引数:2.7万
B
Bert L. de Groot
H 指数:78论文数:374被引数:3.2万
H
Helmut Grubmüller
H 指数:84论文数:538被引数:3.4万
M
Martin Fechner
H 指数:3论文数:8被引数:782
T
Teemu J. Murtola
H 指数:35论文数:268被引数:2.9万
C
Christian Wennberg
H 指数:11论文数:24被引数:922
M
Magnus Lundborg
H 指数:19论文数:51被引数:1,383