Quantum supercharger library: hyper-parallel integral derivatives algorithms for ab initio QM/MM dynamics.

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Quantum supercharger library: hyper-parallel integral derivatives algorithms for ab initio QM/MM dynamics.

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2015 nî lūn-bûn

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Quantum supercharger library: ...... for ab initio QM/MM dynamics.

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Quantum supercharger library: ...... for ab initio QM/MM dynamics.

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Quantum supercharger library: ...... for ab initio QM/MM dynamics.

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Quantum supercharger library: ...... for ab initio QM/MM dynamics.

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Quantum supercharger library: ...... for ab initio QM/MM dynamics.

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Quantum supercharger library: ...... for ab initio QM/MM dynamics.

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P1476

Quantum supercharger library: ...... for ab initio QM/MM dynamics.

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P2093

C Alicia Renison

http://www.w3.org/2001/XMLSchema#string

Kyle D Fernandes

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P2860

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AM1/d-CB1: A Semiempirical Model for QM/MM Simulations of Chemical Glycobiology Systems.

Electronic Absorption Spectra from MM and ab initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow Protein

QM/MM methods for biomolecular systems.

Generating Efficient Quantum Chemistry Codes for Novel Architectures.

P304

1410-1419

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scholarly article

P356

10.1002/JCC.23938

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P433

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P478

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P50

Kevin J. Naidoo

P577

2015-05-14T00:00:00Z

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P698

25975864

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