R. Goeminne
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
Machine learning of the ground state density of molecules for force field development
Constructing a new localization scheme to improve the electrostatic potential of explicit electron force fields
Improved force-field approximations of symmetry-adapted perturbation theory
Ranking molecular crystals with a many-body expansion
Development of a semi-analytic thermodynamic model for the grand canonical potential of flexible MOFs
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