Open AccessMolecular Dynamics in the Force Field FF14SB in Water TIP4P-Ew, and in the Force Field FF15IPQ in Water SPC/Eb: a Comparative Analysis on GPU and CPU
Publication year - 2019
Publication title -
bulletin of the south ural state university series computational mathematics and software engineering
Language(s) - English
Resource type - Journals
eISSN - 2410-7034
pISSN - 2305-9052
DOI - 10.14529/cmse190105
Subject(s) - force field (fiction) , scalability , xeon phi , molecular dynamics , xeon , water model , computational science , computer science , parallel computing , cuda , computational chemistry , chemistry , database , artificial intelligence
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