Yuki Nagata
Affiliations: | Max Planck Institute for Polymer Research |
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Parents
Sign in to add mentor| Yoshitaka Tanimura | grad student | 2007 | Kyoto University |
| Shaul Mukamel | post-doc | 2009-2011 | UC Irvine |
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Publications
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| Dodia M, Rouxel JR, Cho D, et al. (2024) Water Solvent Reorganization upon Ultrafast Resonant Stimulated X-ray Raman Excitation of a Metalloporphyrin Dimer. Journal of Chemical Theory and Computation |
| Chiang KY, Yu X, Yu CC, et al. (2024) Bulklike Vibrational Coupling of Surface Water Revealed by Sum-Frequency Generation Spectroscopy. Physical Review Letters. 131: 256202 |
| Yu X, Chiang KY, Yu CC, et al. (2023) On the Fresnel factor correction of sum-frequency generation spectra of interfacial water. The Journal of Chemical Physics. 158: 044701 |
| Chiang KY, Seki T, Yu CC, et al. (2022) The dielectric function profile across the water interface through surface-specific vibrational spectroscopy and simulations. Proceedings of the National Academy of Sciences of the United States of America. 119: e2204156119 |
| Seki T, Yu CC, Chiang KY, et al. (2021) Disentangling Sum-Frequency Generation Spectra of the Water Bending Mode at Charged Aqueous Interfaces. The Journal of Physical Chemistry. B |
| Melani G, Nagata Y, Saalfrank P. (2021) Vibrational energy relaxation of interfacial OH on a water-covered α-AlO(0001) surface: a non-equilibrium ab initio molecular dynamics study. Physical Chemistry Chemical Physics : Pccp. 23: 7714-7723 |
| Zhong K, Yu CC, Dodia M, et al. (2020) Vibrational mode frequency correction of liquid water in density functional theory molecular dynamics simulations with van der Waals correction. Physical Chemistry Chemical Physics : Pccp |
| Tang F, Ohto T, Sun S, et al. (2020) Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-Frequency Generation. Chemical Reviews |
| Melani G, Nagata Y, Campen RK, et al. (2019) Vibrational spectra of dissociatively adsorbed DO on Al-terminated α-AlO(0001) surfaces from ab initio molecular dynamics. The Journal of Chemical Physics. 150: 244701 |
| Ohto T, Dodia M, Imoto S, et al. (2019) Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations within Generalized Gradient Approximation. Journal of Chemical Theory and Computation. 15: 595-602 |