Systematic comparison of Monte Carlo Annealing and Covariance Matrix Adaptation for the optimization of ReaxFF parameters

Summary

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Authors: Ganna Shchygol, Alexei Yakovlev, Tomas Trnka, Adri C.T. van Duin, Toon Verstraelen

Journal title: ChemRxiv (Chemistry Preprint Server)

Journal publisher: American Chemical Society (ACS)

Published year: 2018

DOI identifier: 10.26434/chemrxiv.6606668.v1