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

Representative Achievements

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).
Single-molecule resonance Raman effect in a plasmonic nanocavity
R. B. Jaculbia, H. Imada*, K. Miwa, T. Iwasa, M. Takenaka, B. Yang, E. Kazuma, N. Hayazawa*, T. Taketsugu, Y. Kim*, Nat. Nanotechnol., 15, 105-110 (2020).
Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13
T. Iwasa*, T. Sato, M. Takagi, M. Gao, A. Lyalin, M. Kobayashi, K. Shimizu, S. Maeda, T. Taketsugu*, J. Phys. Chem. A, 123, 210-217 (2019).
First principles calculations toward understanding SERS of 2,2′-bipyridyl adsorbed on Au, Ag and Au-Ag alloy
M. Takenaka, Y. Hashimoto, T. Iwasa*, T. Taketsugu, G. Seniutinas, A. Balčytis, S. Juodkazise, Y. Nishijima*, J. Comput. Chem., 40, 925-932 (2019).