Researcher Information

IWASA Takeshi

Assistant Professor

Light-matter interaction and chemical reaction

Department of Chemistry, Physical Chemistry

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Theme

Light-molecule interaction at the nanoscale studied by quantum mechanics and electrodynamics calculations

FieldTheoretical molecular science, quantum chemistry
Keywordnear-field, excited states, luminescence, coordination compound, cluster, catalysis

Representative Achievements

A Comparative Study of Structural, Electronic, and Optical Properties of Thiolated Gold Clusters with Icosahedral vs Face-Centered Cubic Cores
M. Miyamoto, T. Taketsugu, T. Iwasa*, J. Chem. Phys., 155, 094304 (2021).
Single-molecule laser nanospectroscopy with micro–electron volt energy resolution
H. Imada*, M. Imai-Imada, K. Miwa, H. Yamane, T. Iwasa, Y. Tanaka, N. Toriumi, K. Kimura, N. Yokoshi, A. Muranaka, M. Uchiyama, T. Taketsugu, Y. K. Kato, H. Ishihara, Y. Kim*, Science, 373, 95-98 (2021). (Press release)
Theoretical method for near-field Raman spectroscopy with multipolar Hamiltonian and real-time-TDDFT: Application to on- and off-resonance tip-enhanced Raman spectroscopy
M. Takenaka, T. Taketsugu, T. Iwasa*, J. Chem. Phys., 154, 024104 (2021).
Combined Computational Quantum Chemistry and Classical Electrodynamics Approach for Surface Enhanced Infrared Absorption Spectroscopy
M. Takenaka, T. Taketsugu, T. Iwasa*, J. Chem. Phys., 152, 164103 (2020).
Generalized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations: Toward near-field infrared spectroscopy and microscopy
T. Iwasa*, M. Takenaka, and T. Taketsugu, J. Chem. Phys. 144, 124116 (2016) [8 pages].
ProjectJST-PRESTO, [Controlled Reaction]
Institute for Chemical Reaction Design and Discovery (WPI-ICReDD)