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Theoretical and Computational Chemistry

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Graphical Processing Unit

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2 results in Keywords: Graphical Processing Unit

Theoretical and Computational Chemistry

Quantum Chemistry for Molecules at Extreme Pressure on Graphical Processing Units: Implementation of Extreme Pressure Polarizable Continuum Model

Ariel Gale, Eugen Hruska, Fang Liu

Version 2 posted 13 May 2021

522

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Theoretical and Computational Chemistry

MDBenchmark: A Toolkit to Optimize the Performance of Molecular Dynamics Simulations

Michael Gecht, Marc Siggel, Max Linke, Gerhard Hummer, Juergen Koefinger

Version 2 posted 28 August 2020

1,114

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