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cond-mat.mtrl-sci2025★ 1 cited
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…
cond-mat.mtrl-sci2025
Analysis of real-space transport channels for electrons and holes in halide perovskites
Frederik Vonhoff, Maximilian J. Schilcher, David R. Reichman +1
Predicting and explaining charge carrier transport in halide perovskites is a formidable challenge because of the unusual vibrational and electron-phonon coupling properties of the…