Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts
| Autor: | Ravipati, Srikanth, Savva, Giannis D., Christidi, Ilektra-Athanasia, Guichard, Roland, Nielsen, Jens, Réocreux, Romain, Stamatakis, Michail |
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| Zdroj: | In Computer Physics Communications January 2022 270 |
| Databáze: | ScienceDirect |
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