Acceleration of Ab Initio QM/MM Calculations under Periodic Boundary Conditions by Multiscale and Multiple Time Step Approaches

标题
Acceleration of Ab Initio QM/MM Calculations under Periodic Boundary Conditions by Multiscale and Multiple Time Step Approaches
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 10, Issue 10, Pages 4175-4183
出版商
American Chemical Society (ACS)
发表日期
2014-09-30
DOI
10.1021/ct5005643

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