ProbeZT: Simulation of transport coefficients of molecular electronic junctions under environmental effects using Büttiker's probes

DOI10.1016/J.CPC.2017.10.005OpenAlexW2770450948MaRDI QIDQ6096973

Michael Kilgour, Roman Korol, Dvira Segal

Publication date: 9 June 2023

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2017.10.005

zbMATH Keywords

quantum interferenceOnsager coefficientsthermopowertransport mechanismsthermoelectric efficiencymolecular junctionsbüttiker probeDNA conductance

Mathematics Subject Classification ID

Quantum theory (81-XX) Classical thermodynamics, heat transfer (80-XX)

Cites Work

• Improvements on non-equilibrium and transport Green function techniques: the next-generation Transiesta
• Fundamental aspects of steady-state conversion of heat to work at the nanoscale
• Characterizing destructive quantum interference in electron transport

This page was built for publication: ProbeZT: Simulation of transport coefficients of molecular electronic junctions under environmental effects using Büttiker's probes