69 citations · 69 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2026★ 69 cited
The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models
Daniel S. Levine, Muhammed Shuaibi, Evan Walter Clark Spotte-Smith +20
Machine learning (ML) models hold the promise of transforming atomic simulations by delivering quantum chemical accuracy at a fraction of the computational cost. Realization of thi…
physics.comp-ph2024
A Recipe for Charge Density Prediction
Xiang Fu, Andrew Rosen, Kyle Bystrom +5
In density functional theory, charge density is the core attribute of atomic systems from which all chemical properties can be derived. Machine learning methods are promising in si…