Transferable Kinetic Monte Carlo Models with Thousands of...

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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.
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Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.8b09947
Date:
February, 2019
File:
PDF, 6.76 MB
english, 2019
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