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"Quantum supercharger library: Hyper-parallel integral derivatives ..."

C. Alicia Renison, Kyle D. Fernandes, Kevin J. Naidoo (2015)

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DOI: 10.1002/JCC.23938

access: closed

type: Journal Article

metadata version: 2020-04-01

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C. Alicia Renison, Kyle D. Fernandes, Kevin J. Naidoo:
Quantum supercharger library: Hyper-parallel integral derivatives algorithms for ab initio QM/MM dynamics. J. Comput. Chem. 36(18): 1410-1419 (2015)

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