Research Associate
Publications
Fully First-Principles Surface Spectroscopy with Machine Learning
(2023)
A Hybrid-DFT Study of Intrinsic Point Defects in $MX_2$ ($M$=Mo, W;
$X$=S, Se) Monolayers
(2023)
Is Unified Understanding of Vibrational Coupling of Water Possible? Hyper-Raman Measurement and Machine Learning Spectra.
The Journal of Physical Chemistry Letters
(2023)
14
3063
(doi: 10.1021/acs.jpclett.3c00398)
First-Principles Simulations of Tip Enhanced Raman Scattering Reveal
Active Role of Substrate on High-Resolution Images
(2022)
The Surface of Electrolyte Solutions is Stratified
(2022)
Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. II. Benchmarks and applications
Journal of Chemical Physics
(2022)
156
194107
(doi: 10.1063/5.0088400)
Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. I. Theory
The Journal of chemical physics
(2022)
156
194106
(doi: 10.1063/5.0088399)
Dissipative Tunneling Rates through the Incorporation of
First-Principles Electronic Friction in Instanton Rate Theory II: Benchmarks
and Applications
(2022)
Dissipative Tunneling Rates through the Incorporation of
First-Principles Electronic Friction in Instanton Rate Theory I: Theory
(2022)
Multidimensional Hydrogen Tunneling in Supported Molecular Switches: The Role of Surface Interactions.
Physical review letters
(2020)
125
216001
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