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

Published 2014 View Full Article

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Title
Acceleration of Ab Initio QM/MM Calculations under Periodic Boundary Conditions by Multiscale and Multiple Time Step Approaches
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 10, Issue 10, Pages 4175-4183
Publisher
American Chemical Society (ACS)
Online
2014-09-30
DOI
10.1021/ct5005643

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