Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
ReaxFF Parameter Optimization with Monte Carlo and Evolutionary Algorithms: Guidelines and Insights
, Authors:
Ganna Shchygol, Alexei Yakovlev, Tomáš Trnka, Adri C.T. van Duin, Toon Verstraelen
Version 2 posted 31 July 2019
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