New tools for high-dimensional, expensive, black-box global optimization functions applied to ReaxFF parameterizations
Thu, 29/06/2023
Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent
Prof. Dr. ir. T. Verstraelen
Development of accurate and reliable methods for in silico modeling of adsorption in nanoporous materials
Constructing a new localization scheme to improve the electrostatic potential of explicit electron force fields
