2 papers
physics.chem-ph2026
Transferable Machine Learning of Electronic Hamiltonians with Superposition-of-Atomic-Potentials Features
Chaoqun Zhang, Christian Venturella, Enzhi Chen +1
Machine learning (ML) of electronic Hamiltonians offers a unified route to electronic wave functions and physical observables. We introduce a Hamiltonian learning framework built o…
cond-mat.mtrl-sci2026
Resolving Finite-Size Errors in EOM-CCSD Band Gaps of Solids with Interacting-Bath Dynamical Embedding Theory
Jiachen Li, Christopher Hillenbrand, Christian Venturella +2
Periodic equation-of-motion coupled-cluster theory with single and double excitations (EOM-CCSD) has shown promise for quantitative calculations of band structures in solids. Howev…