Yair Litman
Yair Litman
Walter Benjamin Research Fellow, Yusuf Hamied Department of Chemistry, University of Cambridge
Verified email at - Homepage
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i-PI 2.0: A universal force engine for advanced molecular simulations
V Kapil, M Rossi, O Marsalek, R Petraglia, Y Litman, T Spura, B Cheng, ...
Computer Physics Communications 236, 214-223, 2019
Elucidating the nuclear quantum dynamics of intramolecular double hydrogen transfer in porphycene
Y Litman, JO Richardson, T Kumagai, M Rossi
Journal of the American Chemical Society 141 (6), 2526-2534, 2019
Decisive role of nuclear quantum effects on surface mediated water dissociation at finite temperature
Y Litman, D Donadio, M Ceriotti, M Rossi
The Journal of chemical physics 148 (10), 2018
Quantum tunneling in real space: Tautomerization of single porphycene molecules on the (111) surface of Cu, Ag, and Au
T Kumagai, JN Ladenthin, Y Litman, M Rossi, L Grill, S Gawinkowski, ...
The Journal of Chemical Physics 148 (10), 2018
Temperature dependence of the vibrational spectrum of porphycene: a qualitative failure of classical-nuclei molecular dynamics
Y Litman, J Behler, M Rossi
Faraday Discussions 221, 526-546, 2020
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, ...
Nano Letters 22 (6), 2170-2176, 2022
Tuning the concentration of dye loaded polymer films for maximum photosensitization efficiency: phloxine B in poly (2-hydroxyethyl methacrylate)
Y Litman, HB Rodríguez, E San Román
Photochemical & Photobiological Sciences 15, 80-85, 2016
Is unified understanding of vibrational coupling of water possible? hyper-raman measurement and machine learning spectra
K Inoue, Y Litman, DM Wilkins, Y Nagata, M Okuno
The Journal of Physical Chemistry Letters 14 (12), 3063-3068, 2023
Surface stratification determines the interfacial water structure of simple electrolyte solutions
Y Litman, KY Chiang, T Seki, Y Nagata, M Bonn
Nature Chemistry, 1-7, 2024
Photophysics of xanthene dyes at high concentrations in solid environments: charge transfer assisted triplet formation
YE Litman, HB Rodríguez, SE Braslavsky, E San Román
Photochemistry and Photobiology 94 (5), 865-874, 2018
Multidimensional hydrogen tunneling in supported molecular switches: The role of surface interactions
Y Litman, M Rossi
Physical Review Letters 125 (21), 216001, 2020
Effect of concentration on the formation of rose bengal triplet state on microcrystalline cellulose: a combined laser-induced optoacoustic spectroscopy, diffuse reflectance …
Y Litman, MG Voss, HB Rodriguez, E San Roman
The Journal of Physical Chemistry A 118 (45), 10531-10537, 2014
Fully First-Principles Surface Spectroscopy with Machine Learning
Y Litman, J Lan, Y Nagata, Wilkins, David M.
J. Phys. Chem. Lett. 14, 36, 8175–8182 14 (36), 8175-8182, 2023
Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. I. Theory
Y Litman, ES Pós, CL Box, R Martinazzo, RJ Maurer, M Rossi
The Journal of Chemical Physics 156 (19), 2022
Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. II. Benchmarks and applications
Y Litman, ES Pós, CL Box, R Martinazzo, RJ Maurer, M Rossi
The Journal of Chemical Physics 156 (19), 2022
Quantum coherence in complex environments: general discussion
AM Alvertis, W Barford, SB Worster, I Burghardt, A Datta, A Dijkstra, T Fay, ...
Faraday Discussions 221, 168-201, 2020
Positional Isotope Exchange in HX·(H2O)n (X = F, I) Clusters at Low Temperatures
YE Litman, PE Videla, J Rodriguez, D Laria
The Journal of Physical Chemistry A 120 (36), 7213-7224, 2016
First-principles simulations of tip enhanced Raman scattering reveal active role of substrate on high-resolution images
Y Litman, FP Bonafé, A Akkoush, H Appel, M Rossi
The Journal of Physical Chemistry Letters 14 (30), 6850-6859, 2023
Tunneling and zero-point energy effects in multidimensional hydrogen transfer reactions: From gas phase to adsorption on metal surfaces
YE Litman
PQDT-Global, 2020
Zero-point energy and tunnelling: General discussion
SC Althorpe, AM Alvertis, W Barford, RL Benson, I Burghardt, S Giannini, ...
Faraday Discussions 221, 478-500, 2020
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