ICML "density functional theory" Papers
3 papers found
AdsorbDiff: Adsorbate Placement via Conditional Denoising Diffusion
Adeesh Kolluru, John Kitchin
ICML 2024poster
Gaussian Plane-Wave Neural Operator for Electron Density Estimation
Seongsu Kim, Sungsoo Ahn
ICML 2024poster
Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction
He Zhang, Chang Liu, wang et al.
ICML 2024poster