Skip to content
conftrace_

charge-density learning

1 paper

Explore in graph

Co-occurring keywords · papers mentioning both

catalyst modeling (1) kohn-sham equation (1) catalyst discovery (1) charge density (1) combinatorial generalization (1) density functional theory (1)

Papers

Towards Combinatorial Generalization for Catalysts: A Kohn-Sham Charge-Density Approach NeurIPS 2023