Machine learning the quantum flux–flux correlation function for catalytic surface reactions
| Autor: | Brenden G. Pelkie, Stéphanie Valleau |
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| Rok vydání: | 2022 |
| Zdroj: | Digital Discovery. 1:851-858 |
| ISSN: | 2635-098X |
| Popis: | Gaussian process regressors were successfuly trained to predict fully quantum flux–flux correlation functions and the corresponding reaction rate constants. |
| Databáze: | OpenAIRE |
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