43 citations · 61 across the 3 of their papers we have counts for
3 papers
Developments and Further Applications of Ephemeral Data Derived Potentials
Pascal T. Salzbrenner, Se Hun Joo, Lewis J. Conway +5
Machine-learned interatomic potentials are fast becoming an indispensable tool in computational materials science. One approach is the ephemeral data-derived potential (EDDP), whic…
Atoms, dimers, and nanoparticles from orbital-free density-potential functional theory
Martin-Isbjörn Trappe, William C. Witt, Sergei Manzhos
Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of lar…
Automatic Differentiation for Orbital-Free Density Functional Theory
Chuin Wei Tan, Chris J. Pickard, William C. Witt
Differentiable programming has facilitated numerous methodological advances in scientific computing. Physics engines supporting automatic differentiation have simpler code, acceler…