133 citations · 616 across the 28 of their papers we have counts for
4 papers · 1 filter
How an electrical current can stabilize a molecular nanojunction
André Erpenbeck, Yaling Ke, Uri Peskin +1
The stability of molecular junctions under transport is of the utmost importance for the field of molecular electronics. This question is often addressed within the paradigm of cur…
Quantum Monte Carlo in the steady-state
André Erpenbeck, Emanuel Gull, Guy Cohen
We present a numerically exact steady-state inchworm Monte Carlo method for nonequilibrium quantum impurity models. Rather than propagating an initial state to long times, the meth…
Nonequilibrium reaction rate theory: Formulation and implementation within the hierarchical equations of motion approach
Yaling Ke, Christoph Kaspar, André Erpenbeck +2
The study of chemical reactions in environments under nonequilibrium conditions has been of interest recently in a variety of contexts, including current-induced reactions in molec…
Nonadiabatic vibronic effects in single-molecule junctions: A theoretical study using the hierarchical equations of motion approach
Christoph Kaspar, André Erpenbeck, Jakob Bätge +2
The interaction between electronic and vibrational degrees of freedom is an important mechanism in nonequilibrium charge transport through molecular nanojunctions. While adiabatic…