Researcher Information

Takeshi Iwasa

Assistant Professor

Department of Chemistry, Physical Chemistry


Representative Achievements

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).
Time-Dependent Density Functional Theory Study on Higher Low-Lying Excited States of Au25(SR)18–
M. Ebina, T. Iwasa*, Y. Harabuchi, T. Taketsugu*, J. Phys. Chem. C, 122, 4097-4104 (2018).