Yaling Ke
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Explore the profile of Yaling Ke including associated specialties, affiliations and a list of published articles.
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Articles
16
Citations
15
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Recent Articles
1.
Ke Y
J Chem Phys
. 2025 Feb;
162(6).
PMID: 39927544
In this work, we systematically investigate the impact of ambient noise intensity on the rate modifications of ground-state chemical reactions in an optical cavity under vibrational strong-coupling conditions. To achieve...
2.
Preston R, Ke Y, Rudge S, Hertl N, Borrelli R, Maurer R, et al.
J Chem Theory Comput
. 2025 Jan;
21(3):1054-1063.
PMID: 39873222
Nonadiabatic coupling between electrons and molecular motion at metal surfaces leads to energy dissipation and dynamic steering effects during chemical surface dynamics. We present a theoretical approach to the scattering...
3.
Ke Y, Richardson J
J Chem Phys
. 2024 Aug;
161(5).
PMID: 39087532
In this work, we present a mixed quantum-classical open quantum system dynamics method for studying rate modifications of ground-state chemical reactions in an optical cavity under vibrational strong-coupling conditions. In...
4.
Ke Y, Richardson J
J Chem Phys
. 2024 Jun;
160(22).
PMID: 38856061
In this work, we systematically investigate the mechanisms underlying the rate modification of ground-state chemical reactions in an optical cavity under vibrational strong-coupling conditions. We employ a symmetric double-well description...
5.
Erpenbeck A, Ke Y, Peskin U, Thoss M
Nanoscale
. 2023 Sep;
15(40):16333-16343.
PMID: 37766513
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 current-induced heating of...
6.
Ke Y, Dvorak J, cizek M, Borrelli R, Thoss M
J Chem Phys
. 2023 Jul;
159(2).
PMID: 37428047
Current-induced bond rupture is a fundamental process in nanoelectronic architectures, such as molecular junctions, and scanning tunneling microscopy measurements of molecules at surfaces. The understanding of the underlying mechanisms is...
7.
Ke Y
J Chem Phys
. 2023 Jun;
158(21).
PMID: 37259990
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 correlation function, which...
8.
Ke Y, Kaspar C, Erpenbeck A, Peskin U, Thoss M
J Chem Phys
. 2022 Jul;
157(3):034103.
PMID: 35868939
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 molecular junctions and scanning tunneling microscopy...
9.
Ke Y, Borrelli R, Thoss M
J Chem Phys
. 2022 May;
156(19):194102.
PMID: 35597642
We extend the twin-space formulation of the hierarchical equations of motion approach in combination with the matrix product state representation [R. Borrelli, J. Chem. Phys. 150, 234102 (2019)] to nonequilibrium...
10.
Ke Y, Erpenbeck A, Peskin U, Thoss M
J Chem Phys
. 2021 Jul;
154(23):234702.
PMID: 34241274
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 at higher-bias voltages. In this work,...