Publications of Yair Litman

Litman, Y.; Chiang, K.-Y.; Seki, T.; Nagata, Y.; Bonn, M.: Surface stratification determines the interfacial water structure of simple electrolyte solutions. Nature Chemistry 16, pp. 644 - 650 (2024)

Litman, Y.; Lan, J.; Nagata, Y.; Wilkins, D. M.: Fully First-Principles Surface Spectroscopy with Machine Learning. The Journal of Physical Chemistry Letters 14 (36), pp. 8175 - 8182 (2023)

Inoue, K.; Litman, Y.; Wilkins, D. M.; Nagata, Y.; Okuno, M.: Is Unified Understanding of Vibrational Coupling of Water Possible? Hyper-Raman Measurement and Machine Learning Spectra. The Journal of Physical Chemistry Letters 14 (12), pp. 3063 - 3068 (2023)

Litman, Y.; Rossi, M.: Multidimensional Hydrogen Tunneling in Supported Molecular Switches: The Role of Surface Interactions. Physical Review Letters 125 (21), 216001 (2020)

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)

Kapil, V.; Rossi, M.; Marsalek, O.; Petraglia, R.; Litman, Y.; Spura, T.; Cheng, B.; Cuzzocrea, A.; Meißner, R. H.; Wilkins, D. M. et al.; Helfrecht, B. A.; Juda, P.; Bienvenue, S. P.; Fang, W.; Kessler, J.; Poltavsky, I.; Vandenbrande, S.; Wieme, J.; Corminboeuf, C.; Kühne, T. D.; Manolopoulos, D. E.; Markland, T. E.; Richardson, J. O.; Tkatchenko, A.; Tribello, G. A.; Van Speybroeck, V.; Ceriotti, M.: i-PI 2.0: A universal force engine for advanced molecular simulations. Computer Physics Communications 236, pp. 214 - 223 (2019)

Litman, Y.; Richardson, J. O.; Kumagai, T.; Rossi, M.: Elucidating the Nuclear Quantum Dynamics of Intramolecular Double Hydrogen Transfer in Porphycene. Journal of the American Chemical Society 141 (6), pp. 2526 - 2534 (2019)

Litman, Y.; Rodríguez, H. B.; Braslavsky, S. E.; San Román, E.: Photophysics of Xanthene Dyes at High Concentrations in Solid Environments: Charge Transfer Assisted Triplet Formation. Photochemistry and Photobiology 94 (5), pp. 865 - 874 (2018)

Kumagai, T.; Ladenthin, J.; Litman, Y.; Rossi, M.; Grill, L.; Gawinkowski, S.; Waluk, J.; Persson, M.: Quantum tunneling in real space: Tautomerization of single porphycene molecules on the (111) surface of Cu, Ag, and Au. The Journal of Chemical Physics 148 (10), 102330 (2018)

Litman, Y.; Donadio, D.; Ceriotti, M.; Rossi, M.: Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature. The Journal of Chemical Physics 148 (10), 102320 (2018)

Litman, Y.; Rossi, M.: Tunneling and Zero-Point Energy Effects in Multidimensional Hydrogen Transfer Reactions: From Gas Phase to Adsorption on Metal Surfaces. Dissertation, Freie Universität, Berlin (2020)