209 citations · 244 across the 3 of their papers we have counts for
3 papers
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…
physics.chem-ph2018★ 209 cited
Accurate molecular polarizabilities with coupled-cluster theory and machine learning
David M. Wilkins, Andrea Grisafi, Yang Yang +3
The molecular polarizability describes the tendency of a molecule to deform or polarize in response to an applied electric field. As such, this quantity governs key intra- and inte…
cond-mat.mtrl-sci2017★ 2 cited
Coherent Atomically-Thin Superlattices with Engineered Strain
Saien Xie, Lijie Tu, Yimo Han +7
Epitaxy forms the basis of modern electronics and optoelectronics. We report coherent atomically-thin superlattices, in which different transition metal dichalcogenide monolayers--…