Publikationen von E. S. Pós

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Zeitschriftenartikel (3)

2024

Zeitschriftenartikel

i-PI 3.0: A flexible and efficient framework for advanced atomistic simulations

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, M. Ceriotti

The Journal of Chemical Physics 161 (6), 062504 (2024)

MPG.PuRe

DOI

publisher-version

2022

Zeitschriftenartikel

Dissipative Tunneling Rates through the Incorporation of First-Principles Electronic Friction in Instanton Rate Theory I: Theory

Y. Litman, E. S. Pós, C. L. Box, R. Martinazzo, R. J. Maurer, M. Rossi

The Journal of Chemical Physics 156 (19), 194106 (2022)

MPG.PuRe

DOI

publisher-version

Zeitschriftenartikel

Dissipative Tunneling Rates through the Incorporation of First-Principles Electronic Friction in Instanton Rate Theory II: Benchmarks and Applications

Y. Litman, E. S. Pós, C. L. Box, R. Martinazzo, R. J. Maurer, M. Rossi

The Journal of Chemical Physics 156 (19), 194107 (2022)

MPG.PuRe

DOI

publisher-version

supplementary-material