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Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data
Zhiyu Shi
,
Aditya Dilip Lele
,
Ahren W. Jasper
,
Stephen J. Klippenstein
,
Yiguang Ju
April 2024
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Type
Journal article
Publication
The Journal of Physical Chemistry A
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