Steven Vandenbrande

i-PI 2.0: A universal force engine for advanced molecular simulations

Venkat Kapil, Mariana Rossi, Ondřej Maršálek et al. · Computer Physics Communications · 2018 · 370 citations · Full text

Engineering, Physics, Natural Sciences +12

Minimal Basis Iterative Stockholder: Atoms in Molecules for Force-Field Development

Toon Verstraelen, Steven Vandenbrande, Farnaz Heidar‐Zadeh et al. · Journal of Chemical Theory and Computation · 2016 · 239 citations · Full text

Engineering, Atomic Partial Charges, Molecular Biology +17

QuickFF: A program for a quick and easy derivation of force fields for metal‐organic frameworks from <i>ab initio</i> input

Louis Vanduyfhuys, Steven Vandenbrande, Toon Verstraelen et al. · Journal of Computational Chemistry · 2015 · 169 citations · Full text

Engineering, Software Package, Computational Chemistry +19

Light Olefin Diffusion during the MTO Process on H-SAPO-34: A Complex Interplay of Molecular Factors

Pieter Cnudde, Ruben Demuynck, Steven Vandenbrande et al. · Journal of the American Chemical Society · 2020 · 137 citations · Full text

Thermodynamic insight into stimuli-responsive behaviour of soft porous crystals

Louis Vanduyfhuys, Sven M. J. Rogge, Jelle Wieme et al. · Nature Communications · 2018 · 134 citations · Full text