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Researcher
Michael Freitas Gustavo
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As
Doctoral researcher
19 August 2019 → 29 June 2023
New tools for high-dimensional, expensive, black-box global optimization functions, applied to ReaxFF parameterizations.
Doctoral researcher: Michael Freitas Gustavo
As
Fellow
01 September 2022 → 31 August 2023
Reparameterization of ReaxFF force fields using sensitivity analysis and a novel global optimization approach (AutoCheMo)
Fellow: Michael Freitas Gustavo
Funding: Regional and community funding: Special Research Fund