Preprint
Sep 2026
A General Non-Markovian Electronic Friction and Langevin Dynamics Framework for Nonequilibrium Systems
We present a general framework for simulating the nonequilibrium vibronic dynamics of molecules interacting with metal surfaces, which utilizes non-Markovian electronic friction and the corresponding generalized Langevin equation. The method employs a Markovian embedding scheme to sample coordinate-dependent quantum co...
S. Rudge, R. Preston, D. Kosov et al.
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