DFG Research Fellow
Publications
Fully First-Principles Surface Spectroscopy with Machine Learning
– The journal of physical chemistry letters
(2023)
14,
8175
(doi: 10.1021/acs.jpclett.3c01989)
First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images.
– The Journal of Physical Chemistry Letters
(2023)
14,
6850
(doi: 10.1021/acs.jpclett.3c01216)
A Hybrid‐Density Functional Theory Study of Intrinsic Point Defects in MX2 (M = Mo, W; X = S, Se) Monolayers
– physica status solidi (a)
(2023)
2300180
(doi: 10.1002/pssa.202300180)
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
– 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)
Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. II. Benchmarks and applications.
– The 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.
– Journal of Chemical Physics
(2022)
156,
194106
(doi: 10.1063/5.0088399)
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