Researcher Information

SAITA Kenichiro

Specially Appointed Assistant Professor

Imaging molecular motion in chemical reactions by theory and computation

Department of Chemistry, Physical Chemistry


Excited-state reaction dynamics based on quantum chemistry calculations

FieldTheoretical chemistry, Computational chemistry, Quantum chemistry, Photochemistry, Nonadiabatic chemical dynamics
KeywordPhoto-excitonics, Ab initio molecular dynamics, Nonadiabatic chemical dynamics, Reaction path search, Excited state calculation

Representative Achievements

Exploring potential crossing seams in periodic systems: Intersystem crossing pathways in the benzene crystal
K. Saita, M. Takagi, Y. Harabuchi, H. Okada and S. Maeda
J. Chem. Phys., 2018, 149, 072329.
Implementation and performance of the artificial force induced reaction method in the GRRM17 program
S. Maeda, Y. Harabuchi, M. Takagi, K. Saita, K. Suzuki, T. Ichino, Y. Sumiya, K. Sugiyama and Y. Ono
J. Comput. Chem., 2018, 39, 233–251.
Theoretical study on mechanism of the photochemical ligand substitution of fac-[ReI(bpy)(CO)3(PR3)]+ complex
K. Saita, Y. Harabuchi, T. Taketsugu, O. Ishitani and S. Maeda
Phys. Chem. Chem. Phys., 2016, 18, 17557–17564.
Imaging Molecular Motion: Femtosecond X-Ray Scattering of an Electrocyclic Chemical Reaction
M. P. Minitti, J. M. Budarz, A. Kirrander, J. S. Robinson, D. Ratner, T. J. Lane, D. Zhu, J. M. Glownia, M. Kozina, H. T. Lemke, M. Sikorski, Y. Feng, S. Nelson, K. Saita, B. Stankus, T. Northey, J. B. Hastings and P. M. Weber
Phys. Rev. Lett., 2015, 114, 255501.
On-the-fly ab initio molecular dynamics with multiconfigurational Ehrenfest method
K. Saita and D. V. Shalashilin
J. Chem. Phys., 2012, 137, 22A506.
Academic degreeDoctor of Science
Academic background2005 B. S., School of Sciences, Kyushu University (Japan)
2007 M. S., Graduate School of Sciences, Kyushu University (Japan)
2010 Ph.D., Graduate School of Sciences, Kyushu University (Japan)
2010 Postdoctoral Research Fellow of Japan Society for the Promotion of Science (JSPS)
2011 Postdoctoral Research Fellow, School of Chemistry, University of Leeds (UK)
2014 Postdoctoral Research Fellow, School of Chemistry, University of Edinburgh (UK)
2015- Specially Appointed Assistant Professor, Faculty of Science, Hokkaido University
Affiliated academic societyJapan Society for Molecular Science, Japan Society of Theoretical Chemistry, The Chemical Society of Japan, The Spectroscopical Society of Japan
Room addressScience Building 7 7-504