114 citations · 179 across the 5 of their papers we have counts for
5 papers
Accurate and Transferable Intermolecular Potential Based on Machine-Learned Molecular Electron Density
Dahvyd Wing, Mihail Bogojeski, Szabolcs Goger +2
Machine-learned force fields (MLFFs) contain many learnable parameters and therefore require large training datasets. This poses a challenge for developing highly accurate, general…
A Transferable Model of Molecular Exchange-Repulsion Interaction from Anisotropic Valence Density Overlap
Dahvyd Wing, Alexandre Tkatchenko
Pauli exchange-repulsion is the dominant short-range intermolecular interaction and it is an essential component of molecular force fields. Current approaches to modeling Pauli rep…
Optical absorption spectra of metal oxides from time-dependent density functional theory and many-body perturbation theory based on optimally-tuned hybrid functionals
Guy Ohad, Stephen E. Gant, Dahvyd Wing +6
Using both time-dependent density functional theory (TDDFT) and the ``single-shot" plus Bethe-Salpeter equation (-BSE) approach, we compute optical band gaps and optical a…
An Optimally-Tuned Starting Point for Single-Shot Calculations of Solids
Stephen E. Gant, Jonah B. Haber, Marina R. Filip +5
The dependence of ab initio many-body perturbation theory within the approximation on the eigensystem used in calculating quasiparticle corrections limits this method's predic…
Band gaps of crystalline solids from Wannier-localization based optimal tuning of a screened range-separated hybrid functional
Dahvyd Wing, Guy Ohad, Jonah B. Haber +4
Accurate prediction of fundamental band gaps of crystalline solid state systems entirely within density functional theory is a long standing challenge. Here, we present a simple an…