Preprint
Aug 2026
A Unified Graph Neural Network Framework for Non-Equilibrium Carrier and Lattice Dynamics Driven by Electric Fields
Finite-temperature simulations of electric-field-driven dynamics need a unified description of interatomic interactions, local electronic states, and configuration-dependent electric responses. First-principles simulations remain scale-limited, whereas conventional machine-learning potentials lack electric-field effect...
Jia-Wen Li, Sheng Meng, Xinghua Shi et al.
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