Dr. Shota Tsuru

Profile

Academic positionPost Doc
Research fieldsTheoretical Chemistry: Electron Structure, Dynamics, Simulation,Spectroscopy
Keywordssolvent effect, femtosecond timescale, X-ray absorption spectroscopy, molecules, ionization yield

Current contact address

CountryJapan
CityKobe
InstitutionRIKEN
InstituteCenter for Computational Science (R-CCS)
Homepagehttp://molsc.riken.jp/en/index.html

Host during sponsorship

Prof. Dr. Christof HättigLehrstuhl für Theoretische Chemie, Ruhr-Universität Bochum, Bochum
Start of initial sponsorship01/11/2020

Programme(s)

2020Humboldt Research Fellowship Programme for Postdocs

Publications (partial selection)

2025Yi-Ping Chang, Tadas Balciunas, Zhong Yin, Marin Sapunar, Bruno N. C. Tenorio, Alexander C. Paul, Shota Tsuru, Henrik Koch, Jean-Pierre Wolf, Sonia Coriani, Hans Jakob Wörner: Electronic dynamics created at conical intersections and its dephasing in aqueous solution. In: Nature Physics, 21, 2025, 137-145
2025Tsuru, Shota and Sharma, Bikramjit and Hättig, Christof and Marx, Dominik: Nuclear Quantum Effects Have a Significant Impact on UV/Vis Absorption Spectra of Chromophores in Water. In: Angewandte Chemie International Edition, 64, 2025, e202416058
2024Masanari Nagasaka, Shota Tsuru, Yasuyuki Yamada: Metal–ligand delocalization of iron and cobalt porphyrin complexes in aqueous solutions probed by soft X-ray absorption spectroscopy. In: Physical Chemistry Chemical Physics, 26, 2024, 23636
2023Shota Tsuru, Bikramjit Sharma, Dominik Marx, and Christof Hättig: Structural Sampling and Solvation Models for the Simulation ofElectronic Spectra: Pyrazine as a Case Study. In: Journal of Chemical Theory and Computation, 19, 2023, 2291
2022T. Teramoto, S. Minemoto, T. Majima, T. Mizuno, J. H. Mun, A. Yagishita, P. Decleva, and S. Tsuru: Basic studies toward ultrafast soft x-ray photoelectron diffraction; its application to probing local structure in iodobenzene molecules. In: Structural Dynamics, 9, 2022, 024303
2022S. Minemoto, J. H. Mun, T. Teramoto, A. Yagishita, and S. Tsuru: Ultrafast X-ray photoelectron diffraction from free molecules: Simulations of diffraction profiles from transient intermediates in the elimination reaction of C2H4I2. In: Journal of Electron Spectroscopy and Related Phenomena, 258, 2022, 147221
2021Tsuru, Shota and Sharma, Bikramjit and Nagasaka, Masanari and Hättig, Christof: Solvent Effects in the Ultraviolet and X-ray Absorption Spectra of Pyridazine in Aqueous Solution. In: The Journal of Physical Chemistry A, 125, 2021, 7198-7206