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Scaling methods for accelerating kinetic Monte Carlo simulations of chemical reaction networks
Various kinetic Monte Carlo algorithms become inefficient when some of the population sizes in a system are large, which gives rise to a large number of reaction events per unit time. Here, we present a new acceleration algorithm based on adaptive and heterogeneous scaling of reaction rates and stoi...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7043856/ https://ncbi.nlm.nih.gov/pubmed/31255063 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5096774 |
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