Publications of E. S. Pós

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

Litman, Y.; Pós, E. S.; Box, C. L.; Martinazzo, R.; Maurer, R. J.; Rossi, M.: Dissipative Tunneling Rates through the Incorporation of First-Principles Electronic Friction in Instanton Rate Theory I: Theory. The Journal of Chemical Physics 156 (19), 194106 (2022)

Litman, Y.; Pós, E. S.; Box, C. L.; Martinazzo, R.; Maurer, R. J.; Rossi, M.: Dissipative Tunneling Rates through the Incorporation of First-Principles Electronic Friction in Instanton Rate Theory II: Benchmarks and Applications. The Journal of Chemical Physics 156 (19), 194107 (2022)

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