activity
20172021
most citedAccurate molecular polarizabilities with coupled-cluster theory and machine learning

209 citations · 244 across the 3 of their papers we have counts for

collaborators
Showing 2021Show all

1 paper · 1 filter

physics.chem-ph2021★ 33 cited

NENCI-2021 Part I: A Large Benchmark Database of Non-Equilibrium Non-Covalent Interactions Emphasizing Close Intermolecular Contacts

Zachary M. Sparrow, Brian G. Ernst, Paul T. Joo +2

In this work, we present NENCI-2021, a benchmark database of approximately non-equilibrium non-covalent interaction energies for a large and diverse selection of intermolec…