"Coupling the time-warp algorithm with the graph-theoretical kinetic Monte ..."

Srikanth Ravipati et al. (2022)

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DOI: 10.1016/J.CPC.2021.108148

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type: Journal Article

metadata version: 2022-01-21

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Srikanth Ravipati, Giannis D. Savva, Ilektra-Athanasia Christidi, Roland Guichard, Jens Nielsen, Romain Réocreux, Michail Stamatakis:
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts. Comput. Phys. Commun. 270: 108148 (2022)

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