Quasi-classical Trajectory Calculation of Rate Constants Using Ab-initio Trained Machine Learning Force Field (aML-MD)

Shi, Zhiyu; Lele, Aditya; Jasper, Ahren; Klippenstein, Stephen; Ju, Yiguang

doi:10.2514/6.2024-0797

AIAA SCITECH 2024 Forum 2024

DOI: 10.2514/6.2024-0797

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Quasi-classical Trajectory Calculation of Rate Constants Using Ab-initio Trained Machine Learning Force Field (aML-MD)

Zhiyu Shi,

Aditya Lele,

Ahren Jasper

et al.

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Quasi-classical Trajectory Calculation of Rate Constants Using Ab-initio Trained Machine Learning Force Field (aML-MD)

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References 22 publications

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