L. Vanduyfhuys
Machines learning MOFs: training time-lagged autoencoders to learn collective variables for accurate free energy surfaces and transition kinetics
Modifying the terahertz vibrations in MIL-53-type materials: The impact of building block substitution on the flexibility
ISBN/ISSN:
Poster
Conference / event / venue
EuroMOF2019
Paris, France
Sunday, 27 October, 2019 to Wednesday, 30 October, 2019
Modifying the terahertz vibrations in MIL-53-type materials: The impact of building block substitution on the flexibility
ISBN/ISSN:
Poster
Conference / event / venue
FlexMOF Symposium 2019
Dresden, Germany
Tuesday, 3 December, 2019 to Thursday, 5 December, 2019
From Schrödinger to Newton: ab initio derived classical force fields versus machine learning potentials for zeolite properties
Extracting high-dimensional free energy surfaces from molecular simulations to accurately estimate the rate of physical and chemical processes
Mechanistic Insights on the Water-Zeolite Synergy in the Conversion of Biomass-Derived Guaiacol
ISBN/ISSN:
Poster
Conference / event / venue
Water in Zeolites Workshop
Liblice Castle, Czech Republic
Sunday, 19 September, 2021 to Wednesday, 22 September, 2021
Zeolite-catalyzed benzene ethylation: New mechanistic insights from an old-school reaction class
ISBN/ISSN:
Talk
Conference / event / venue
ACS Spring 2021
Online
Monday, 5 April, 2021 to Friday, 30 April, 2021