Publications of K. Fidanyan

Journal Article (2)

2023
Journal Article
Ab initio study of water dissociation on a charged Pd(111) surface
K. Fidanyan, G. Liu, M. Rossi
The Journal of Chemical Physics 158 (9), 094707 (2023)
MPG.PuRe
DOI
publisher-version
supplementary-material
2021
Journal Article
Quantum Nuclei at Weakly Bonded Interfaces: The Case of Cyclohexane on Rh(111)
K. Fidanyan, I. Hamada, M. Rossi
Advanced Theory and Simulations 4 (4), 2000241 (2021)
MPG.PuRe
DOI
supplementary-material
publisher-version

Thesis - PhD (1)

2023
Thesis - PhD
Theoretical investigations of nuclear quantum effects in weakly bonded metal-molecular interfaces
K. Fidanyan
Humboldt-Universität zu Berlin, 2023
MPG.PuRe
DOI
publisher-version

Other (1)

2021
Other
Overcoming barriers in nuclear dynamics with first principles electronic structure methods
M. Rossi, A. Akkoush, K. Fidanyan, M. Krynski, A. Lewis, Y. Litman, D. Maksimov, E. S. Pós, N. Raimbault, H. Wang
High Performance Computing and Data Science in the Max Planck Society (2021)
MPG.PuRe
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Full

Preprint (1)

2023
Preprint
Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface
M. Jacobs, K. Fidanyan, M. Rossi, C. Cocchi
(2023)
MPG.PuRe
pre-print

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