Yuki Nagata

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 62

Top Topics

Machine Learning

Carbon Nanotubes

Molecular Dynamics

Energy Transfer

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

Nature communications

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Yongkang Wang, Takakazu Seki, Paschalis Gkoupidenis, Yunfei Chen, Yuki Nagata, Mischa Bonn
Aqueous chemimemristor based on proton-permeable graphene membranes. Proceedings of the National Academy of Sciences of the United States of America 121 (6) (2024)
Yair Litman, Kuo-Yang Chiang, Takakazu Seki, Yuki Nagata, Mischa Bonn
Surface stratification determines the interfacial water structure of simple electrolyte solutions. Nature chemistry 16 (4) (2024)
Mayank Dodia, Jérémy R Rouxel, Daeheum Cho, Yu Zhang, Daniel Keefer, Mischa Bonn, Yuki Nagata, Shaul Mukamel
Water Solvent Reorganization upon Ultrafast Resonant Stimulated X-ray Raman Excitation of a Metalloporphyrin Dimer. Journal of chemical theory and computation 20 (10) (2024)
Yongkang Wang, Takakazu Seki, Paschalis Gkoupidenis, Yunfei Chen, Yuki Nagata, Mischa Bonn
Aqueous chemimemristor based on proton-permeable graphene membranes. Proceedings of the National Academy of Sciences of the United States of America 121 (6) (2024)
Takakazu Seki, Chun-Chieh Yu, Kuo-Yang Chiang, Xiaoqing Yu, Shumei Sun, Mischa Bonn, Yuki Nagata
Spontaneous Appearance of Triiodide Covering the Topmost Layer of the Iodide Solution Interface Without Photo-Oxidation. Environmental science & technology 58 (8) (2024)
Takakazu Seki, Chun-Chieh Yu, Kuo-Yang Chiang, Xiaoqing Yu, Shumei Sun, Mischa Bonn, Yuki Nagata
Spontaneous Appearance of Triiodide Covering the Topmost Layer of the Iodide Solution Interface Without Photo-Oxidation. Environmental science & technology 58 (8) (2024)
Mayank Dodia, Jérémy R Rouxel, Daeheum Cho, Yu Zhang, Daniel Keefer, Mischa Bonn, Yuki Nagata, Shaul Mukamel
Water Solvent Reorganization upon Ultrafast Resonant Stimulated X-ray Raman Excitation of a Metalloporphyrin Dimer. Journal of chemical theory and computation (2024)
Yair Litman, Kuo-Yang Chiang, Takakazu Seki, Yuki Nagata, Mischa Bonn
Surface stratification determines the interfacial water structure of simple electrolyte solutions. Nature chemistry 16 (4) (2024)
Takakazu Seki, Chun-Chieh Yu, Kuo-Yang Chiang, Xiaoqing Yu, Shumei Sun, Mischa Bonn, Yuki Nagata
Spontaneous Appearance of Triiodide Covering the Topmost Layer of the Iodide Solution Interface Without Photo-Oxidation. Environmental science & technology 58 (8) (2024)
Takakazu Seki, Chun-Chieh Yu, Kuo-Yang Chiang, Xiaoqing Yu, Shumei Sun, Mischa Bonn, Yuki Nagata
Spontaneous Appearance of Triiodide Covering the Topmost Layer of the Iodide Solution Interface Without Photo-Oxidation. Environmental science & technology 58 (8) (2024)
Mayank Dodia, Jérémy R Rouxel, Daeheum Cho, Yu Zhang, Daniel Keefer, Mischa Bonn, Yuki Nagata, Shaul Mukamel
Water Solvent Reorganization upon Ultrafast Resonant Stimulated X-ray Raman Excitation of a Metalloporphyrin Dimer. Journal of chemical theory and computation (2024)
Yair Litman, Kuo-Yang Chiang, Takakazu Seki, Yuki Nagata, Mischa Bonn
Surface stratification determines the interfacial water structure of simple electrolyte solutions. Nature chemistry (2024)
Yair Litman, Kuo-Yang Chiang, Takakazu Seki, Yuki Nagata, Mischa Bonn
Surface stratification determines the interfacial water structure of simple electrolyte solutions. Nature chemistry 16 (4) (2024)
Takakazu Seki, Chun-Chieh Yu, Kuo-Yang Chiang, Xiaoqing Yu, Shumei Sun, Mischa Bonn, Yuki Nagata
Spontaneous Appearance of Triiodide Covering the Topmost Layer of the Iodide Solution Interface Without Photo-Oxidation. Environmental science & technology (2024)
Yongkang Wang, Takakazu Seki, Paschalis Gkoupidenis, Yunfei Chen, Yuki Nagata, Mischa Bonn
Aqueous chemimemristor based on proton-permeable graphene membranes. Proceedings of the National Academy of Sciences of the United States of America 121 (6) (2024)
Anupam Prasoon, Xiaoqing Yu, Mike Hambsch, David Bodesheim, Kejun Liu, Angelica Zacarias, Nguyen Ngan Nguyen, Takakazu Seki, Aerzoo Dianat, Alessandro Pecchia, Gianaurelio Cuniberti, Philippe Fontaine, Yuki Nagata, Stefan C B Mannsfeld, Renhao Dong, Mischa Bonn, Xinliang Feng
Site-selective chemical reactions by on-water surface sequential assembly. Nature communications 14 (1) (2023)
Takakazu Seki, Chun-Chieh Yu, Kuo-Yang Chiang, Alessandro Greco, Xiaoqing Yu, Fumiki Matsumura, Mischa Bonn, Yuki Nagata
Ions Speciation at the Water-Air Interface. Journal of the American Chemical Society 145 (19) (2023)
Kazuki Inoue, Yair Litman, David M Wilkins, Yuki Nagata, Masanari Okuno
Is Unified Understanding of Vibrational Coupling of Water Possible? Hyper-Raman Measurement and Machine Learning Spectra. The journal of physical chemistry letters (2023)
Anupam Prasoon, Xiaoqing Yu, Mike Hambsch, David Bodesheim, Kejun Liu, Angelica Zacarias, Nguyen Ngan Nguyen, Takakazu Seki, Aerzoo Dianat, Alessandro Pecchia, Gianaurelio Cuniberti, Philippe Fontaine, Yuki Nagata, Stefan C B Mannsfeld, Renhao Dong, Mischa Bonn, Xinliang Feng
Site-selective chemical reactions by on-water surface sequential assembly. Nature communications 14 (1) (2023)
Kuo-Yang Chiang, Fumiki Matsumura, Chun-Chieh Yu, Daizong Qi, Yuki Nagata, Mischa Bonn, Konrad Meister
True Origin of Amide I Shifts Observed in Protein Spectra Obtained with Sum Frequency Generation Spectroscopy. The journal of physical chemistry letters (2023)
Yongkang Wang, Yuki Nagata, Mischa Bonn
Substrate effect on charging of electrified graphene/water interfaces. Faraday discussions (2023)
Xiaoqing Yu, Kuo-Yang Chiang, Chun-Chieh Yu, Mischa Bonn, Yuki Nagata
On the Fresnel factor correction of sum-frequency generation spectra of interfacial water. The Journal of chemical physics 158 (4) (2023)
Yair Litman, Jinggang Lan, Yuki Nagata, David M Wilkins
Fully First-Principles Surface Spectroscopy with Machine Learning. The journal of physical chemistry letters (2023)
Fumiki Matsumura, Chun-Chieh Yu, Xiaoqing Yu, Kuo-Yang Chiang, Takakazu Seki, Mischa Bonn, Yuki Nagata
Does the Sum-Frequency Generation Signal of Aromatic C-H Vibrations Reflect Molecular Orientation? The journal of physical chemistry. B (2023)
Daria Maltseva, Sayantan Chatterjee, Chun-Chieh Yu, Mateusz Brzezinski, Yuki Nagata, Grazia Gonella, Anastasia C Murthy, Jeanne C Stachowiak, Nicolas L Fawzi, Sapun H Parekh, Mischa Bonn
Fibril formation and ordering of disordered FUS LC driven by hydrophobic interactions. Nature chemistry (2023)
Samuel Jeong, Tatsuhiko Ohto, Tomohiko Nishiuchi, Yuki Nagata, Jun-Ichi Fujita, Yoshikazu Ito
Suppression of Methanol and Formate Crossover through Sulfanilic-Functionalized Holey Graphene as Proton Exchange Membranes. Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2023)
Anupam Prasoon, Xiaoqing Yu, Mike Hambsch, David Bodesheim, Kejun Liu, Angelica Zacarias, Nguyen Ngan Nguyen, Takakazu Seki, Aerzoo Dianat, Alessandro Pecchia, Gianaurelio Cuniberti, Philippe Fontaine, Yuki Nagata, Stefan C B Mannsfeld, Renhao Dong, Mischa Bonn, Xinliang Feng
Site-selective chemical reactions by on-water surface sequential assembly. Nature communications 14 (1) (2023)
Yongkang Wang, Takakazu Seki, Xiaoqing Yu, Chun-Chieh Yu, Kuo-Yang Chiang, Katrin F Domke, Johannes Hunger, Yunfei Chen, Yuki Nagata, Mischa Bonn
Chemistry governs water organization at a graphene electrode. Nature 615 (7950) (2023)
Yongkang Wang, Takakazu Seki, Xiaoqing Yu, Chun-Chieh Yu, Kuo-Yang Chiang, Katrin F Domke, Johannes Hunger, Yunfei Chen, Yuki Nagata, Mischa Bonn
Chemistry governs water organization at a graphene electrode. Nature 615 (7950) (2023)
Takakazu Seki, Chun-Chieh Yu, Kuo-Yang Chiang, Alessandro Greco, Xiaoqing Yu, Fumiki Matsumura, Mischa Bonn, Yuki Nagata
Ions Speciation at the Water-Air Interface. Journal of the American Chemical Society (2023)
Takakazu Seki, Chun-Chieh Yu, Kuo-Yang Chiang, Alessandro Greco, Xiaoqing Yu, Fumiki Matsumura, Mischa Bonn, Yuki Nagata
Ions Speciation at the Water-Air Interface. Journal of the American Chemical Society 145 (19) (2023)
Takakazu Seki, Chun-Chieh Yu, Kuo-Yang Chiang, Alessandro Greco, Xiaoqing Yu, Fumiki Matsumura, Mischa Bonn, Yuki Nagata
Ions Speciation at the Water-Air Interface. Journal of the American Chemical Society 145 (19) (2023)
Kübra Kaygisiz, Lena Rauch-Wirth, Arghya Dutta, Xiaoqing Yu, Yuki Nagata, Tristan Bereau, Jan Münch, Christopher V Synatschke, Tanja Weil
Data-mining unveils structure-property-activity correlation of viral infectivity enhancing self-assembling peptides. Nature communications 14 (1) (2023)
Chun-Chieh Yu, Takakazu Seki, Kuo-Yang Chiang, Fujie Tang, Shumei Sun, Mischa Bonn, Yuki Nagata
Polarization-Dependent Heterodyne-Detected Sum-Frequency Generation Spectroscopy as a Tool to Explore Surface Molecular Orientation and Ångström-Scale Depth Profiling. The journal of physical chemistry. B 126 (33) (2022)
Yuki Nagata, Mischa Bonn
Biomolecular Chirality Is Imprinted on One Layer of Hydration Water. ACS central science 8 (10) (2022)
Johannes Hunger, Jan Schäfer, Patrick Ober, Takakazu Seki, Yongkang Wang, Leon Prädel, Yuki Nagata, Mischa Bonn, Douwe Jan Bonthuis, Ellen H G Backus
Nature of Cations Critically Affects Water at the Negatively Charged Silica Interface. Journal of the American Chemical Society 144 (43) (2022)
Kris Strunge, Fani Madzharova, Frank Jensen, Tobias Weidner, Yuki Nagata
Theoretical Sum Frequency Generation Spectra of Protein Amide with Surface-Specific Velocity-Velocity Correlation Functions. The journal of physical chemistry. B 126 (42) (2022)
Menno Demmenie, Paul Kolpakov, Yuki Nagata, Sander Woutersen, Daniel Bonn
Scratch-Healing Behavior of Ice by Local Sublimation and Condensation. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (4) (2022)
Marvin P Bernhardt, Yuki Nagata, Nico F A van der Vegt
Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion-Water Pair Potentials Based on Ab Initio Molecular Dynamics Data. The journal of physical chemistry letters 13 (16) (2022)
Amelie A Ehrhard, Lucas Gunkel, Sebastian Jäger, Arne C Sell, Yuki Nagata, Johannes Hunger
Elucidating Conformation and Hydrogen-Bonding Motifs of Reactive Thiourea Intermediates. ACS catalysis 12 (20) (2022)
Xiaoqing Yu, Takakazu Seki, Chun-Chieh Yu, Kai Zhong, Shumei Sun, Masanari Okuno, Ellen H G Backus, Johannes Hunger, Mischa Bonn, Yuki Nagata
Interfacial Water Structure of Binary Liquid Mixtures Reflects Nonideal Behavior. The journal of physical chemistry. B 125 (37) (2021)
Takakazu Seki, Chun-Chieh Yu, Kuo-Yang Chiang, Junjun Tan, Shumei Sun, Shuji Ye, Mischa Bonn, Yuki Nagata
Disentangling Sum-Frequency Generation Spectra of the Water Bending Mode at Charged Aqueous Interfaces. The journal of physical chemistry. B 125 (25) (2021)
Kailong Hu, Tatsuhiko Ohto, Yuki Nagata, Mitsuru Wakisaka, Yoshitaka Aoki, Jun-Ichi Fujita, Yoshikazu Ito
Catalytic activity of graphene-covered non-noble metals governed by proton penetration in electrochemical hydrogen evolution reaction. Nature communications 12 (1) (2021)
Fujie Tang, Tatsuhiko Ohto, Shumei Sun, Jérémy R Rouxel, Sho Imoto, Ellen H G Backus, Shaul Mukamel, Mischa Bonn, Yuki Nagata
Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-Frequency Generation. Chemical reviews 120 (8) (2020)
Sudipta Das, Sho Imoto, Shumei Sun, Yuki Nagata, Ellen H G Backus, Mischa Bonn
Nature of Excess Hydrated Proton at the Water-Air Interface. Journal of the American Chemical Society 142 (2) (2020)
Chun-Chieh Yu, Kuo-Yang Chiang, Masanari Okuno, Takakazu Seki, Tatsuhiko Ohto, Xiaoqing Yu, Vitaly I Korepanov, Hiro-O Hamaguchi, Mischa Bonn, Johannes Hunger, Yuki Nagata
Vibrational couplings and energy transfer pathways of water's bending mode. Nature communications 11 (1) (2020)
Takakazu Seki, Kuo-Yang Chiang, Chun-Chieh Yu, Xiaoqing Yu, Masanari Okuno, Johannes Hunger, Yuki Nagata, Mischa Bonn
The Bending Mode of Water: A Powerful Probe for Hydrogen Bond Structure of Aqueous Systems. The journal of physical chemistry letters 11 (19) (2020)
Takakazu Seki, Shumei Sun, Kai Zhong, Chun-Chieh Yu, Kevin Machel, Lisa B Dreier, Ellen H G Backus, Mischa Bonn, Yuki Nagata
Unveiling Heterogeneity of Interfacial Water through the Water Bending Mode. The journal of physical chemistry letters 10 (21) (2019)
Tatsuhiko Ohto, Mayank Dodia, Jianhang Xu, Sho Imoto, Fujie Tang, Frederik Zysk, Thomas D Kühne, Yasuteru Shigeta, Mischa Bonn, Xifan Wu, Yuki Nagata
Accessing the Accuracy of Density Functional Theory through Structure and Dynamics of the Water-Air Interface. The journal of physical chemistry letters 10 (17) (2019)
Mayank Dodia, Tatsuhiko Ohto, Sho Imoto, Yuki Nagata
Structure and Dynamics of Water at the Water-Air Interface Using First-Principles Molecular Dynamics Simulations. II. NonLocal vs Empirical van der Waals Corrections. Journal of chemical theory and computation 15 (6) (2019)
Yuki Nagata, Tetsuya Hama, Ellen H G Backus, Markus Mezger, Daniel Bonn, Mischa Bonn, Gen Sazaki
The Surface of Ice under Equilibrium and Nonequilibrium Conditions. Accounts of chemical research 52 (4) (2019)
Fujie Tang, Tatsuhiko Ohto, Taisuke Hasegawa, Wen Jun Xie, Limei Xu, Mischa Bonn, Yuki Nagata
Correction to Definition of Free O-H Groups of Water at the Air-Water Interface. Journal of chemical theory and computation 14 (6) (2018)
Ellen H G Backus, Jenée D Cyran, Maksim Grechko, Yuki Nagata, Mischa Bonn
Time-Resolved Sum Frequency Generation Spectroscopy: A Quantitative Comparison Between Intensity and Phase-Resolved Spectroscopy. The journal of physical chemistry. A 122 (9) (2018)
Tatsuhiko Ohto, Johannes Hunger, Ellen H G Backus, Wataru Mizukami, Mischa Bonn, Yuki Nagata
Trimethylamine-N-oxide: its hydration structure, surface activity, and biological function, viewed by vibrational spectroscopy and molecular dynamics simulations. Physical chemistry chemical physics : PCCP 19 (10) (2018)
Jenée D Cyran, Ellen H G Backus, Yuki Nagata, Mischa Bonn
Structure from Dynamics: Vibrational Dynamics of Interfacial Water as a Probe of Aqueous Heterogeneity. The journal of physical chemistry. B 122 (14) (2018)
Lisa B Dreier, Yuki Nagata, Helmut Lutz, Grazia Gonella, Johannes Hunger, Ellen H G Backus, Mischa Bonn
Saturation of charge-induced water alignment at model membrane surfaces. Science advances 4 (3) (2018)
Fujie Tang, Tatsuhiko Ohto, Taisuke Hasegawa, Mischa Bonn, Yuki Nagata
π+-π+ stacking of imidazolium cations enhances molecular layering of room temperature ionic liquids at their interfaces. Physical chemistry chemical physics : PCCP 19 (4) (2018)
Bart Weber, Yuki Nagata, Stefania Ketzetzi, Fujie Tang, Wilbert J Smit, Huib J Bakker, Ellen H G Backus, Mischa Bonn, Daniel Bonn
Molecular Insight into the Slipperiness of Ice. The journal of physical chemistry letters 9 (11) (2018)
Jonggu Jeon, Cho-Shuen Hsieh, Yuki Nagata, Mischa Bonn, Minhaeng Cho
Hydrogen bonding and vibrational energy relaxation of interfacial water: A full DFT molecular dynamics simulation. The Journal of chemical physics 147 (4) (2018)
Tatsuhiko Ohto, Mayank Dodia, Sho Imoto, Yuki Nagata
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 (1) (2018)
Giacomo Melani, Yuki Nagata, Jonas Wirth, Peter Saalfrank
Vibrational spectroscopy of hydroxylated α-Al2O3(0001) surfaces with and without water: An ab initio molecular dynamics study. The Journal of chemical physics 149 (1) (2018)
Fujie Tang, Tatsuhiko Ohto, Taisuke Hasegawa, Wen Jun Xie, Limei Xu, Mischa Bonn, Yuki Nagata
Definition of Free O-H Groups of Water at the Air-Water Interface. Journal of chemical theory and computation 14 (1) (2017)