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Complex reaction processes in combustion unraveled by neural network-based molecular dynamics simulation
Combustion is a complex chemical system which involves thousands of chemical reactions and generates hundreds of molecular species and radicals during the process. In this work, a neural network-based molecular dynamics (MD) simulation is carried out to simulate the benchmark combustion of methane....
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group UK
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7658983/ https://www.ncbi.nlm.nih.gov/pubmed/33177517 http://dx.doi.org/10.1038/s41467-020-19497-z |