Heterogeneous parallelization and acceleration of molecular dynamics simulations in GROMACS
نویسندگان
چکیده
منابع مشابه
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS
1Science for Life Laboratory, Stockholm and Uppsala, 171 21 Stockholm, Sweden, 2Dept. Theoretical Physics, KTH Royal Institute of Technology, 10691 Stockholm, Sweden, 3 Theoretical and Computational Biophysics Dept., Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, 37077 Göttingen, Germany 4Center for Biomembrane Research, Dept. Biochemistry & Biophysics, Stockholm University, SE...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2020
ISSN: 0021-9606,1089-7690
DOI: 10.1063/5.0018516