神戸大学　大学院科学技術イノベーション研究科 & 大学院システム情報学研究科

Education

B.S. (1996) The University of Tokyo, Japan (Applied Chemistry, Engineering)
M.S. (1998) The University of Tokyo, Japan (Applied Chemistry, Engineering)
Ph.D. (2001) The University of Tokyo, Japan (Applied Chemistry, Engineering)
Thesis Title: "Theoretical Study of Adsorption and Photodissociation at Transition Metal Surfaces"

Professional Experience

• Research Associate, in Department of Chemistry, Iowa State University, June 2001 - September 2003
• Research Associate, in Graduate School of Engineering, The University of Tokyo, October 2003 - January 2005
• Research Associate, in Research Institute for Computational Science, National Institute of Advanced Industrial Science and Technology, February 2005 - March 2008
• Research Associate, in Graduate School of Information Science, Nagoya University, April 2008 - March 2009
• Assistant Professor Extraordinary, in Graduate School of Engineering, Kobe University, April 2009 - March 2010
• Assistant Professor Extraordinary, in Graduate School of System Informatics, Kobe University, April 2010 - Present

Area of Specialization

1. Electronic Structure Theory
2. Physical Chemisry at Metal / Semiconductor Surface
3. Lattice Boltzmann Simulation of Electrochemical Systems

Publications

• "Theoretical study of CH4 photodissociation on the Pt(111) surface", Y. Akinaga, T. Taketsugu, and K. Hirao, J. Chem. Phys. 107, 415-424 (1997)
• "Theoretical study of CH4 photodissociation on the Pd and Ni(111) surfaces", Y. Akinaga, T. Taketsugu, and K. Hirao, J. Chem. Phys. 109, 11010-11017 (1998)
• "A density functional study on the adsorption of methanethiolate on the (111) surfaces of noble metals", Y. Akinaga, T. Nakajima, and K. Hirao, J. Chem. Phys. 114, 8555-8564 (2001)
• "Lattice Boltzmann simulations for proton transport in two-dimensional model channels of Nafion", Y. Akinaga, S. Hyodo and T. Ikeshoji,  Phys. Chem. Chem. Phys. 10, 5678-5688 (2008)
• "Range-separation by the Yukawa potential in long-range corrected density functional theory with Gaussian-type basis functions", Y. Akinaga, S. Ten-no,  Chem. Phys. Lett. 462, 348-351 (2008)
• "Intramolecular charge-transfer excitation energies from range-separated hybrid functionals using the Yukawa potential", Y. Akinaga, S. Ten-no,  Int. J. Quantum Chem. Special Issue: In Honor of Professor Kimihiko Hirao - Part I 109, 1905-1914 (2009)