Researcher Information

IWASA Takeshi

Assistant Professor

Light-matter interaction and chemical reaction

Department of Chemistry, Physical Chemistry


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

Generalized Transition Moment and Oscillator Strength for Optimal Control of Excited States using Near-Field Light
T. Iwasa*, J. Phys. Chem. Lett., in press.
Excited States of Metal-Adsorbed Dimethyl Disulfide: A TDDFT Study with Cluster Model
K. Toda, Y. Hirose, E. Kazuma, Y. Kim, T. Taketsugu, T. Iwasa*, J. Phys. Chem. A, 126, 4191-4198 (2022).
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).
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).
ProjectJST-PRESTO, [Controlled Reaction]
Institute for Chemical Reaction Design and Discovery (WPI-ICReDD)