2 citations · 3 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2022★ 2 cited
Incorporation of density scaling constraint in density functional design via contrastive representation learning
Weiyi Gong, Tao Sun, Hexin Bai +7
In a data-driven paradigm, machine learning (ML) is the central component for developing accurate and universal exchange-correlation (XC) functionals in density functional theory (…
physics.chem-ph2020
Simple hydrogenic estimates for the exchange and correlation energies of atoms and atomic ions, with implications for density functional theory
Aaron D. Kaplan, Biswajit Santra, Puskar Bhattarai +8
Exact density functionals for the exchange and correlation energies are approximated in practical calculations for the ground-state electronic structure of a many-electron system.…
cond-mat.mtrl-sci2020★ 1 cited
Two-dimensional MX family of Dirac materials with tunable electronic and topological properties
Yan-Fang Zhang, Jinbo Pan, Huta Banjade +6
We propose a novel class of two-dimensional (2D) Dirac materials in the MX family (M=Be, Mg, Zn and Cd, X = Cl, Br and I), which exhibit graphene-like band structures with linearly…