Transferable Kinetic Monte Carlo Models with Thousands of Reactions Learned from Molecular Dynamics Simulations
Chen, Enze, Yang, Qian, Dufour Decieux, Vincent, Sing-Long, Carlos A., Freitas, Rodrigo, Reed, Evan J.Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.8b09947
Date:
February, 2019
File:
PDF, 6.76 MB
2019