A reduced-order modeling approach for electron transport in molecular junctions.
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DOI: 10.1021/acs.jctc.9b01090
Abstract: To describe non-equilibrium transport processes in a quantum device with infinite baths, we propose to formulate the problems as a reduced-order problem. Starting with the Liouville-von Neumann equation for the density-matrix, the reduced-order technique yields… read more here.
Keywords: reduced order; approach electron; order; transport ... See more keywords