All genres
2024
Journal Article
A Hybrid-Density Functional Theory Study of Intrinsic Point Defects in MX2 (M = Mo, W; X = S, Se) Monolayers
Physica Status Solidi A 221 (1), 2300180 (2024)
2023
Journal Article
First-Principles Simulations of Tip Enhanced Raman Scattering Reveal Active Role of Substrate on High-Resolution Images
The Journal of Physical Chemistry Letters 14 (30), 6850–6859 (2023)
2022
Journal Article
Charge Transfer-Mediated Dramatic Enhancement of Raman Scattering upon Molecular Point Contact Formation ,
Nano Letters 22 (6), 2170–2176 (2022)
2021
Other
Overcoming barriers in nuclear dynamics with first principles electronic structure methods
High Performance Computing and Data Science in the Max Planck Society (2021)