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cond-mat.mtrl-sci2023★ 5 cited
Quantum bath augmented stochastic nonequilibrium atomistic simulations for molecular heat conduction
Renai Chen, Mohammadhasan Dinpajooh, Abraham Nitzan
Classical molecular dynamics (MD) has been shown to be effective in simulating heat conduction in certain molecular junctions since it inherently takes into account some essential…
cond-mat.mtrl-sci2019★ 24 cited
Stochastic Simulation of Nonequilibrium Heat Conduction in Extended Molecule Junctions
Inon Sharony, Renai Chen, Abraham Nitzan
Understanding phononic heat transport processes in molecular junctions is a central issue in the developing field of nanoscale heat conduction and manipulation. Here we present a S…