Research Explorer

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Researcher

Michael Freitas Gustavo

Publications & Research Data

Awards & Distinctions

5 Results

2023

New tools for high-dimensional, expensive, black-box global optimization functions applied to ReaxFF parameterizations

Michael Freitas GustavoToon Verstraelen

Sensitivity analysis for ReaxFF reparametrization using the Hilbert-Schmidt independence criterion

Michael Freitas GustavoMatti HellströmToon Verstraelen

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

2022

GloMPO (Globally Managed Parallel Optimization) : a tool for expensive, black-box optimizations, application to ReaxFF reparameterizations

Michael Freitas GustavoToon Verstraelen

A1 Journal Article in JOURNAL OF CHEMINFORMATICS

2021

GloMPO (Globally Managed Parallel Optimization) Benchmark Test Data

Michael Freitas GustavoToon Verstraelen

Reparameterization of computational chemistry force fields using GloMPO (Globally Managed Parallel Optimization)

Michael Freitas GustavoToon Verstraelen