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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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The Markovian Multiagent Monte-Carlo method as a differential evolution approach to the SCF problem for restricted

Linus Bjarne Dittmer1, Andreas Dreuw1

  • 1Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 205, 69120 Heidelberg, Germany.

The Journal of Chemical Physics
|October 3, 2023
PubMed

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