Acceleration of Semiempirical QM/MM Methods through Message Passage Interface (MPI), Hybrid MPI/Open Multiprocessing, and Self-Consistent Field Accelerator Implementations

标题
Acceleration of Semiempirical QM/MM Methods through Message Passage Interface (MPI), Hybrid MPI/Open Multiprocessing, and Self-Consistent Field Accelerator Implementations
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 13, Issue 8, Pages 3525-3536
出版商
American Chemical Society (ACS)
发表日期
2017-06-20
DOI
10.1021/acs.jctc.7b00322

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