Researcher Portfolio

Pós, Eszter Sarolta

Simulations from Ab Initio Approaches, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society

Researcher Profile

Position: Simulations from Ab Initio Approaches, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society

Researcher ID: https://pure.mpg.de/cone/persons/resource/persons269835

External references

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Publications

: Litman, Y., Kapil, V., Feldman, Y. M. Y., Tisi, D., Begušić, T., Fidanyan, K., Fraux, G., Higer, J., Kellner, M., Li, T. E., Pós, E. S., Stocco, E., Trenins, G., Hirshberg, B., Rossi, M., & Ceriotti, M. (2024). i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations. The Journal of Chemical Physics, 161(6): 062504. doi:10.1063/5.0215869. [PubMan] : Litman, Y., Pós, E. S., Box, C. L., Martinazzo, R., Maurer, R. J., & Rossi, M. (2022). 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. doi:10.1063/5.0088399. [PubMan] : Litman, Y., Pós, E. S., Box, C. L., Martinazzo, R., Maurer, R. J., & Rossi, M. (2022). 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. doi:10.1063/5.0088400. [PubMan] : Rossi, M., Akkoush, A., Fidanyan, K., Krynski, M., Lewis, A., Litman, Y., Maksimov, D., Pós, E. S., Raimbault, N., & Wang, H. (2021). Overcoming barriers in nuclear dynamics with first principles electronic structure methods. [PubMan]