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20222026
most citedPhysics-informed Hamiltonian learning for large-scale optoelectronic property prediction

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cond-mat.mtrl-sci2026

Hamiltonian learning reveals optoelectronic mechanisms across thermodynamic state space in soft semiconductors

Frederik Vonhoff, Jesper R. Pedersen, Frederico P. Delgado +5

Predicting optoelectronic response across thermodynamic state space requires coupling finite-temperature nuclear dynamics to electronic structure at scales where direct first-princ…