Methane adsorption in DUT-49: an exploration of the osmotic landscape
ISBN/ISSN:
Invited talk
Conference / event / venue
Inorganic chemistry group
Dresden, Germany
Thursday, 1 April, 2021
R. Goeminne
Ranking molecular crystals with a many-body expansion
Machine learning of the ground state density of molecules for force field development
Is classic enough? Exploring how nuclear quantum effects affect proton mobility in zeolites through ab initio-derived machine learning potentials
Improved force-field approximations of symmetry-adapted perturbation theory
Developing a Hybrid Monte Carlo Algorithm for Peptides through Kernel Machine Learning
Development of a semi-analytic thermodynamic model for the grand canonical potential of flexible MOFs
Improved force-field approximations of symmetry-adapted perturbation theory
Ranking molecular crystals with a many-body expansion
Machine learning of atomic polarizabilities for polarizable force field development
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