2 citations · 3 across the 2 of their papers we have counts for
3 papers
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…
Physics-informed Hamiltonian learning for large-scale optoelectronic property prediction
Martin Schwade, Shaoming Zhang, Frederik Vonhoff +2
Predicting optoelectronic properties of large-scale atomistic systems under realistic conditions is crucial for rational materials design, yet computationally prohibitive with firs…
Temperature-transferable tight-binding model using a hybrid-orbital basis
Martin Schwade, Maximilian J. Schilcher, Christian Reverón Baecker +2
Finite-temperature calculations are relevant for rationalizing material properties yet they are computationally expensive because large system sizes or long simulation times are ty…