Reparameterization of Computational Chemistry Force Fields Using GloMPO (Globally Managed Parallel Optimization). - Michael Freitas Gustavo; Toon Verstraelen (LION, 2021)

GloMPO (Globally Managed Parallel Optimization): a tool for expensive, black-box optimizations, application to ReaxFF reparameterizations. - Michael Freitas Gustavo; Toon Verstraelen (J. Cheminformatics, 2022)