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cond-mat.mtrl-sci2026★ 1 cited
Surface hopping simulations show valley depolarization driven by exciton-phonon resonance
Alex Krotz, Roel Tempelaar
Resonances between excitonic transitions and nuclear coordinates have been shown to drive a variety of excited-state dynamical phenomena in molecular systems. Here, we report mixed…
cond-mat.mtrl-sci2024
Mixed quantum-classical modeling of exciton-phonon scattering in solids: Application to optical linewidths of monolayer MoS2
Alex Krotz, Roel Tempelaar
We present a mixed quantum-classical framework for the microscopic and non-Markovian modeling of exciton-phonon scattering in solid-state materials, and apply it to calculate the o…