Preprint
Oct 2026
Nonadiabatic polaron dynamics from machine-learned hopping trajectories
The formation and motion of small polarons are ubiquitous in energy materials and influence photoinduced processes. Polaron transport is governed by thermally activated lattice dynamics and rare hopping events, requiring spatial and temporal scales only attainable with machine-learning molecular dynamics, which enables...
Daniela Mangano, Luca Leoni, Zhong-Fei Xu et al.
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