Shi, Zhiyu, Lele, Aditya Dilip, Jasper, Ahren W., Klippenstein, Stephen J., Ju, Yiguang (2024) Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data. The Journal of Physical Chemistry A, 128 (17) 3449-3457 doi:10.1021/acs.jpca.4c00750
| Reference Type | Journal (article/letter/editorial) | ||
|---|---|---|---|
| Title | Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data | ||
| Journal | The Journal of Physical Chemistry A | ||
| Authors | Shi, Zhiyu | Author | |
| Lele, Aditya Dilip | Author | ||
| Jasper, Ahren W. | Author | ||
| Klippenstein, Stephen J. | Author | ||
| Ju, Yiguang | Author | ||
| Year | 2024 (May 2) | Volume | 128 |
| Issue | 17 | ||
| Publisher | American Chemical Society (ACS) | ||
| DOI | doi:10.1021/acs.jpca.4c00750Search in ResearchGate | ||
| Generate Citation Formats | |||
| Mindat Ref. ID | 17382496 | Long-form Identifier | mindat:1:5:17382496:4 |
| GUID | 0 | ||
| Full Reference | Shi, Zhiyu, Lele, Aditya Dilip, Jasper, Ahren W., Klippenstein, Stephen J., Ju, Yiguang (2024) Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data. The Journal of Physical Chemistry A, 128 (17) 3449-3457 doi:10.1021/acs.jpca.4c00750 | ||
| Plain Text | Shi, Zhiyu, Lele, Aditya Dilip, Jasper, Ahren W., Klippenstein, Stephen J., Ju, Yiguang (2024) Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data. The Journal of Physical Chemistry A, 128 (17) 3449-3457 doi:10.1021/acs.jpca.4c00750 | ||
| In | (2024, May) The Journal of Physical Chemistry A Vol. 128 (17) American Chemical Society (ACS) | ||
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