"hamiltonian prediction" Papers
2 papers found
High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction
Seongsu Kim, Nayoung Kim, Dongwoo Kim et al.
NeurIPS 2025spotlightarXiv:2505.18817
2
citations
Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction
He Zhang, Chang Liu, wang et al.
ICML 2024poster