activity
20182024
most citedA Transferable Machine-Learning Model of the Electron Density

273 citations · 475 across the 11 of their papers we have counts for

collaborators
Showing 2024Show all

1 paper · 1 filter

physics.chem-ph2024

Range separation of the interaction potential in intermolecular and intramolecular symmetry-adapted perturbation theory

Du Luu, Clemence Corminboeuf, Konrad Patkowski

Symmetry-adapted perturbation theory (SAPT) is a popular and versatile tool to compute and decompose noncovalent interaction energies between molecules. The intramolecular SAPT (IS…