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Accelerated Molecular Mechanical and Solvation Energetics on Multicore CPUs and Manycore GPUs.

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第一作者： Deukhyun,Cha

第一单位： Bluware Inc., Houston, TX, USA.

作者： Deukhyun,Cha ^[1] ; Alexander,Rand ^[2] ; Qin,Zhang ^[3] ; Rezaul A,Chowdhury ^[4] ; Jesmin Jahan,Tithi ^[4] ; Chandrajit,Bajaj ^[5]

作者单位： Bluware Inc., Houston, TX, USA. ^[1] CD-adapco, Austin, TX, USA. ^[2] CGG, Houston, TX, USA. ^[3] Dept. Computer Science, State University of New York, Stony Brook, NY, USA. ^[4] Dept. Computer Science, Institute of Computational, Engineering and Sciences, University of Texas at Austin, Austin, TX, USA. ^[5]

关键词 Algorithm BioPhysics Computational Chemistry D.1.3 [Concurrent Programming]:[Applications]Graphics Processing Units I.6 [SIMULATION AND MODELING]: Numerical Algorithms and Problems Molecular Dynamics Parallel Programming

DOI 10.1145/2808719.2808742

PMID 32647834

发布时间 2024-03-29

基金项目

R01 EB004873/EB/NIBIB NIH HHS/United States

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