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Theoretical and Computational Chemistry

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Hybrid Quantum Mechanics/Molecular Mechanics

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1 results in Keywords: Hybrid Quantum Mechanics/Molecular Mechanics

Theoretical and Computational Chemistry

QM/MM Simulations on NVIDIA and AMD GPUs

Madushanka Manathunga, Hasan Metin Aktulga, Andreas W. Goetz, Kenneth M. Merz, Jr

Version 1 posted 30 November 2022

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