51 citations · 285 across the 11 of their papers we have counts for
11 papers
Current-induced bond rupture in single-molecule junctions: Effects of multiple electronic states and vibrational modes
Yaling Ke, Jan Dvořák, Martin Čížek +2
Current-induced bond rupture is a fundamental process in nanoelectronic architectures such as molecular junctions and in scanning tunneling microscopy measurements of molecules at…
Tree tensor network state approach for solving hierarchical equations of motion
Yaling Ke
The hierarchical equations of motion (HEOM) method is a numerically exact open quantum system dynamics approach. The method is rooted in an exponential expansion of the bath correl…
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…
Current-induced forces in nanosystems: A hierarchical equations of motion approach
Samuel L. Rudge, Yaling Ke, Michael Thoss
A new approach to calculating current-induced forces in charge transport through nanosystems is introduced. Starting from the fully quantum mechanical hierarchical equations of mot…
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…
Hierarchical equations of motion approach to hybrid fermionic and bosonic environments: Matrix product state formulation in twin space
Yaling Ke, Raffaele Borrelli, Michael Thoss
We extend the twin-space formulation of the hierarchical equations of motion approach in combination with the matrix product state representation (introduced in J. Chem. Phys. 150,…
Unraveling current-induced dissociation mechanisms in single-molecule junctions
Yaling Ke, André Erpenbeck, Uri Peskin +1
Understanding current-induced bond rupture in single-molecule junctions is both of fundamental interest and a prerequisite for the design of molecular junctions, which are stable a…
Nonequilibrium open quantum systems with multiple bosonic and fermionic environments: A hierarchical equations of motion approach
Jakob Bätge, Yaling Ke, Christoph Kaspar +1
We present a hierarchical equations of motion approach, which allows a numerically exact simulation of nonequilibrium transport in general open quantum systems involving multiple m…
Current-induced dissociation in molecular junctions beyond the paradigm of vibrational heating: The role of anti-bonding electronic states
André Erpenbeck, Yaling Ke, Uri Peskin +1
The interaction between electronic and nuclear degrees of freedom in single-molecule junctions is an essential mechanism, which may result in the current-induced rupture of chemica…
The hierarchical and perturbative forms of stochastic Schrödinger equations and their applications to carrier dynamics in organic materials
Yuchen Wang, Yaling Ke, Yi Zhao
A number of non-Markovian stochastic Schrödinger equations, ranging from the numerically exact hierarchical form towards a series of perturbative expressions sequentially presented…
Calculations of coherent two-dimensional electronic spectra using forward and backward stochastic wavefunctions
Yaling Ke, Yi Zhao
Within the well-established optical response function formalism, a new strategy with the central idea of employing the forward-backward stochastic Schrödinger equations in a segmen…