Quantum supercharger library: Hyper‐parallel integral derivatives algorithms for ab initioQM/MM dynamics

Publisher: John Wiley & Sons Inc

E-ISSN: 1096-987x|36|18|1410-1419

ISSN: 0192-8651

Source: JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.36, Iss.18, 2015-07, pp. : 1410-1419

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Abstract