1 citations · 1 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2023★ 1 cited
Beyond potential energy surface benchmarking: a complete application of machine learning to chemical reactivity
Xingyi Guan, Joseph Heindel, Taehee Ko +2
We train an equivariant machine learning model to predict energies and forces for a real-world study of hydrogen combustion under conditions of finite temperature and pressure. Thi…
cs.LG2020
HydroNet: Benchmark Tasks for Preserving Intermolecular Interactions and Structural Motifs in Predictive and Generative Models for Molecular Data
Sutanay Choudhury, Jenna A. Bilbrey, Logan Ward +5
Intermolecular and long-range interactions are central to phenomena as diverse as gene regulation, topological states of quantum materials, electrolyte transport in batteries, and…