Accelerating metadynamics-based free-energy calculations with adaptive machine learning potentials

Jiayan Xu, Xiao-Ming Cao, P. Hu^*

^*Corresponding author for this work

School of Chemistry and Chemical Engineering

Research output: Contribution to journal › Article › peer-review

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- Title(descending)
- Award date

Towards real dynamics in heterogeneous catalysis using machine learning interatomic potential simulations
Author: Xu, J., Jul 2023
Supervisor: Wu, C. (Supervisor) & Hu, P. (Supervisor)
Student thesis: Doctoral Thesis › Doctor of Philosophy

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