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barostat

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2 results in Keywords: barostat

Theoretical and Computational Chemistry

Neighbor List Artifacts in Molecular Dynamics Simulations

HYUNTAE KIM, Balázs Fábián, Gerhard Hummer

Version 1 posted 18 July 2023

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Materials Chemistry

Molecular Dynamics Simulations of the Breathing Phase Transition of MOF Nanocrystallites II: Explicitly Modeling the Pressure Medium

Larissa Schaper, Julian Keupp, Rochus Schmid

Version 1 posted 10 August 2021

188

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