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Researcher
Michael Freitas Gustavo
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3
Results
2023
New tools for high-dimensional, expensive, black-box global optimization functions applied to ReaxFF parameterizations
Michael Freitas Gustavo
Toon Verstraelen
Dissertation
2023
Sensitivity analysis for ReaxFF reparametrization using the Hilbert-Schmidt independence criterion
Michael Freitas Gustavo
Matti Hellström
Toon Verstraelen
A1
Journal Article
in
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
2023
2022
GloMPO (Globally Managed Parallel Optimization) : a tool for expensive, black-box optimizations, application to ReaxFF reparameterizations
Michael Freitas Gustavo
Toon Verstraelen
A1
Journal Article
in
JOURNAL OF CHEMINFORMATICS
2022