Publikationen
Zeitschriftenartikel (8)
2023
Zeitschriftenartikel
Mapping the electronic transitions of protonation sites in peptides using soft X-ray action spectroscopy
, , , , , D. Maksimov, , , M. Rossi, , , , , , ,
Physical Chemistry Chemical Physics 25 (37), 25603–25618 (2023)
Zeitschriftenartikel
The FHI-aims code: all-electron, ab initio materials simulations towards the exascale
, M. Rossi, ,
Modelling and Simulation in Materials Science and Engineering 31 (6), 063301 (2023)
Zeitschriftenartikel
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)
Zeitschriftenartikel
Predicting the electronic density response of condensed-phase systems to electric field perturbations
The Journal of Chemical Physics 159 (1), 014103 (2023)
Zeitschriftenartikel
Ab initio study of water dissociation on a charged Pd(111) surface
The Journal of Chemical Physics 158 (9), 094707 (2023)
Zeitschriftenartikel
Reconstructing the infrared spectrum of a peptide from representative conformers of the full canonical ensemble
, , , M. Rossi, , , , , , , ,
Communications Chemistry 6 (1), 46 (2023)
Zeitschriftenartikel
Optical classification of excitonic phases in molecular functionalized atomically-thin semiconductors
, , M. Rossi,
Physical Review B 107 (4), L041401 (2023)
Hochschulschrift - Doktorarbeit (2)
2023
Hochschulschrift - Doktorarbeit
First-Principles Investigations of Structural Vibrations and Point Defects in 2D Materials: Insights from Electronic Structure Methods and Raman Spectroscopy
Universität Hamburg, 2023
Hochschulschrift - Doktorarbeit
Theoretical investigations of nuclear quantum effects in weakly bonded metal-molecular interfaces
Humboldt-Universität zu Berlin, 2023