Publications of Mariana Rossi

Journal Article (3)

2020
Journal Article
Litman, Y.; Behler, J.; Rossi, M.: Temperature dependence of the vibrational spectrum of porphycene: a qualitative failure of classical-nuclei molecular dynamics. Faraday Discussions 221, pp. 526 - 546 (2020)
2019
Journal Article
Kapil, V.; Engel, E.; Rossi, M.; Ceriotti, M.: Assessment of Approximate Methods for Anharmonic Free Energies. Journal of Chemical Theory and Computation 15 (11), pp. 5845 - 5857 (2019)
Journal Article
Raimbault, N.; Grisafi, A.; Ceriotti, M.; Rossi, M.: Using Gaussian Process Regression to Simulate the Vibrational Raman Spectra of Molecular Crystals. New Journal of Physics 21 (10), 105001 (2019)

Talk (3)

2019
Talk
Rossi, M.: Structure and Dynamics of Inorganic / Organic Systems. 20th Meeting of the Fachbeirat of the Fritz-Haber-Institut, Berlin, Germany (2019)
Talk
Rossi, M.: Elucidating Quantum Dynamics at Hybrid Interfaces. Seminar, The Institute for Solid State Physics, The University of Tokyo, Kashiwa, Japan (2019)
Talk
Rossi, M.: How Theory Can Elucidate Anharmonic Quantum Nuclear Fluctuations and Hydrogen Dynamics at Finite Temperatures. The 81st Okazaki Conference, Forefront of Measurement Technologies for Surface Chemistry and Physics in Real-Space, k-Space, and Real-Time, Okazaki, Japan (2019)
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