DFT-Quality Adsorption Simulations in Rigid and Flexible Metal–Organic Frameworks Enabled by Machine Learning Potentials

R. Goeminne, L. Vanduyfhuys, T. Verstraelen, V. Van Speybroeck

ISBN/ISSN:

Talk

Conference / event / venue

MOFSIM2024

Montpellier, France

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