V. De Ridder

Molecular Simulation of Adsorption and Hindered Diffusion in MOFs using Classical Density Functional Theory

V. De Ridder, L. Vanduyfhuys

ISBN/ISSN:

Poster

Conference / event / venue

MOFSIM2024

Montpellier, France

Wednesday, 10 April, 2024 to Friday, 12 April, 2024

Implementation of classical density functional theory to unravel the fluid structure of adsorbed species in nanoporous materials

V. De Ridder

Master of Science in Engineering Physics

2021

Supervisors

Prof. Dr. ir. L. Vanduyhuys; Prof. Dr. ir. V. Van Speybroeck

New hybrid force field/ab initio potentials based on importance sampling in classical density functional theory for adsorption in nanoporous materials

Vic De Ridder