Publikationen

Zeitschriftenartikel (4)

2022

Zeitschriftenartikel

Quantenmechanik und Molekulardynamik

M. Rossi

Nachrichten aus der Chemie 70 (11), 58–62 (2022)

MPG.PuRe

DOI

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

Zeitschriftenartikel

Charge Transfer-Mediated Dramatic Enhancement of Raman Scattering upon Molecular Point Contact Formation

B. Cirera, Y. Litman, C. Lin, A. Akkoush, A. Hammud, M. Wolf, M. Rossi, T. Kumagai

Nano Letters 22 (6), 2170–2176 (2022)

MPG.PuRe

DOI

supplementary-material

publisher-version

Preprint (1)

2022

Preprint

The FHI-aims Code: All-electron, ab initio materials simulations towards the exascale

V. Blum, M. Rossi, S. Kokott, M. Scheffler

(2022)

MPG.PuRe

pre-print