The Journal of chemical physicsDNAMolecular Dynamics SimulationElectrons
Non-equilibrium lifetimes of DNA under electronic current in a molecular junction.
Julian A Lawn, Nicholas S Davis, Daniel S Kosov
Published: 202510.1063/5.0301710
Abstract
We investigate the non-equilibrium mechanical motion of double-stranded DNA in a molecular junction under electronic current using Keldysh-Langevin molecular dynamics. Non-equilibrium electronic force reshapes the effective potential energy surface a…
Preview only. Read the full abstract at the source