Fitting reactive force fields using genetic algorithms
Fitting reactive force fields using genetic algorithms Henrik R. Larsson, Bernd Hartke Institut für Physikalische Chemie, Christian-Albrechts-Universität, Olshausenstr. 40, 24098 Kiel, Germany. DOI: https://doi.org/10.7494/cmms.2013.1.0420 Abstract: With reactive force fields it is possible to perform atomistic simulations that join the accuracy of quantum chemical treatments (including bond breaking and formation) with the ability to treat hundreds … Read more