| 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 | 406 | 2019 |
| Surface stratification determines the interfacial water structure of simple electrolyte solutions Y Litman, KY Chiang, T Seki, Y Nagata, M Bonn Nature Chemistry 16 (4), 644-650, 2024 | 104 | 2024 |
| 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 | 94 | 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 | 55 | 2018 |
| i-PI 3.0: a flexible and efficient framework for advanced atomistic simulations Y Litman, V Kapil, YMY Feldman, D Tisi, T Begušić, K Fidanyan, G Fraux, ... The Journal of Chemical Physics 161 (6), 062504, 2024 | 54 | 2024 |
| 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 | 46 | 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 | 43 | 2022 |
| 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 | 35 | 2018 |
| 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 | 29 | 2023 |
| 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 | 26 | 2023 |
| Multidimensional hydrogen tunneling in supported molecular switches: The role of surface interactions Y Litman, M Rossi Physical Review Letters 125 (21), 216001, 2020 | 18 | 2020 |
| 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 (1), 80-85, 2016 | 17 | 2016 |
| 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 | 15 | 2018 |
| 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 | 14 | 2022 |
| 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 | 13 | 2023 |
| 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 | 13 | 2022 |
| Roadmap on advancements of the FHI-aims software package JW Abbott, CM Acosta, A Akkoush, A Ambrosetti, V Atalla, A Bagrets, ... arXiv preprint arXiv:2505.00125, 2025 | 12 | 2025 |
| Learning electronic polarizations in aqueous systems A Jana, S Shepherd, Y Litman, DM Wilkins Journal of Chemical Information and Modeling 64 (11), 4426-4435, 2024 | 11 | 2024 |
| A Hybrid‐Density Functional Theory Study of Intrinsic Point Defects in MX2 (M = Mo, W; X = S, Se) Monolayers A Akkoush, Y Litman, M Rossi physica status solidi (a) 221 (1), 2300180, 2024 | 10 | 2024 |
| 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 | 10 | 2014 |
Yuki NagataMax-Planck Institute for Polymer ResearchVerified email at mpip-mainz.mpg.de
