Michael Freitas Gustavo
Quick links
Go to A1 Publications / Other Publications / Invited talks / Conference talks / Posters / Funding
Published
2023
Sensitivity Analysis for ReaxFF Reparametrization Using the Hilbert–Schmidt Independence Criterion , , Journal of Chemical Theory and Computation , 19, 9, 2557-2573 , 2023
2022
GloMPO (Globally Managed Parallel Optimization): a tool for expensive, black-box optimizations, application to ReaxFF reparameterizations , , Journal of Cheminformatics , 14, 7 , 2022 , IF: 5.514 , 31/161 [Q1]
Dissertations
(D1) , New tools for high-dimensional, expensive, black-box global optimization functions applied to ReaxFF parameterizations , , Supervisor(s): Prof. Dr. ir. T. Verstraelen , 29/06/2023