StructOpt: A modular materials structure optimization suite incorporating experimental data and simulated energies
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DOI: 10.1016/j.commatsci.2018.12.052
Abstract: Abstract StructOpt, an open-source structure optimization suite, applies genetic algorithm and particle swarm methods to obtain atomic structures that minimize an objective function. The objective function typically consists of the energy and the error between… read more here.
Keywords: microscopy; structure optimization; optimization suite; experimental data ... See more keywords