Publications of K. Fidanyan

Y. Litman, V. Kapil, Y. M. Y. Feldman, D. Tisi, T. Begušić, K. Fidanyan, G. Fraux, J. Higer, M. Kellner, T. E. Li, E. S. Pós, E. Stocco, G. Trenins, B. Hirshberg, M. Rossi, and M. Ceriotti, i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations, The Journal of Chemical Physics 161 (6), 062504 (2024).

M. Jacobs, K. Fidanyan, M. Rossi, and C. Cocchi, Impact of nuclear effects on the ultrafast dynamics of an organic/inorganic mixed-dimensional interface, Electronic Structure 6 (2), 025006 (2024).

K. Fidanyan, G. Liu, and M. Rossi, Ab initio study of water dissociation on a charged Pd(111) surface, The Journal of Chemical Physics 158 (9), 094707 (2023).

K. Fidanyan, I. Hamada, and M. Rossi, Quantum Nuclei at Weakly Bonded Interfaces: The Case of Cyclohexane on Rh(111), Advanced Theory and Simulations 4 (4), 2000241 (2021).

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

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