Preprint
Sep 2026
Hamiltonian learning reveals optoelectronic mechanisms across thermodynamic state space in soft semiconductors
Predicting optoelectronic response across thermodynamic state space requires coupling finite-temperature nuclear dynamics to electronic structure at scales where direct first-principles calculations are impractical. Machine-learning force fields and Hamiltonian-learning models provide scalable predictions, but integrat...
Frederik Vonhoff, Jesper R. Pedersen, Frederico P. Delgado et al.
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