Optimized GPU implementation of Merck Molecular Force Field and Universal Force Field

Published 2019 View Full Article

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Title
Optimized GPU implementation of Merck Molecular Force Field and Universal Force Field
Authors
Keywords
Molecular mechanics, Merck Molecular Force Field (MMFF94), Universal Force Field (UFF), Graphics processing unit (GPU), Materials science
Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1188, Issue -, Pages 227-233
Publisher
Elsevier BV
Online
2019-04-04
DOI
10.1016/j.molstruc.2019.04.007

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