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Preprint Sep 2026

Efficient kinetic Monte Carlo simulations with long-range electrostatic interactions

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 treatment of long-r...

R. E. Viand, Bat-Amgalan Bat-Erdene, Karsten Reuter et al. · 0 citations

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