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Efficient kinetic Monte Carlo simulations with long-range electrostatic interactions

Viand, Roya Ebrahimi et al.
arXiv (OAI Expanded) · Papers
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statistical-mechanics
Charge transport in solid-state materials is often governed by charge carrier hopping processes in the presence of long-range electrostatic interactions. Kinetic Monte Carlo (kMC) simulations provide a framework for describing such rare-event dynamics over extended timescales. However, the efficient
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