65 citations · 274 across the 12 of their papers we have counts for
Showing cond-mat.stat-mechShow all
2 papers · 1 filter
cond-mat.stat-mech2022
Symmetric Molecular Dynamics
Sam Cox, Andrew D. White
We derive a formulation of molecular dynamics that generates only symmetric configurations. We implement it for all 2D planar and 3D space groups. An atlas of 2D Lennard-Jones crys…
cond-mat.stat-mech2021★ 65 cited
Natural Language Processing Models That Automate Programming Will Transform Chemistry Research and Teaching
Glen M. Hocky, Andrew D. White
Natural language processing models have emerged that can generate usable software and automate a number of programming tasks with high fidelity. These tools have yet to have an imp…