Yuki Nagata

Max Planck Institute for Polymer Research 
"Yuki Nagata"
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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
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