Takefumi Yamashita
Ph.D., Theoretical Chemistry
M. S., Theoretical Chemistry
B. S., Theoretical Chemistry
Kyoto University, Kyoto, Japan
Bio:
Dr. Takefumi Yamashita joined the Voth group in April 2008 as a Postdoctoral Staff member. From May 2007 through April 2008, Dr. Yamashita was a Visiting Foreign Postdoctoral Fellow with the Voth group, and was generously supported by the Japan Society for the Promotion of Science (JSPS). Takefumi's research interest has focused on the quantum effects in chemical reactions based on the ab initio methods and the quantum dynamics simulations. His research in the Voth group involves methods to study condensed phase proton solvation and transport processes, and he currently studies proton-transport near biological membranes.
Latest Publications:
-
T. Yamashita, and K. Takatsuka, "Hydrogen-bond Assisted Enormous Broadening of Infrared Spectra of Phenol-water Cationic Cluster: An Ab Initio Mixed Quantum-classical Study," J. Chem. Phys., 126, 074304(1-15) (2007).
-
T. Yamashita, and K. Takatsuka, "Phase Quantization of Chaos and the Role of the Semiclassical Amplitude Factor," Prog. Theo. Phys. Supp.,166, 56-69 (2007).
-
K. Takatsuka, S. Takahashi, Y. W. Koh, and T. Yamashita, "Energy Quantization of Chaos with the Semiclassical Phase Alone," J. Chem. Phys.,126, 021104(1-4) (2007).
-
S. Kawai, Y. Fujimura, O. Kajimoto, T. Yamashita, C. -B. Li, T. Komatsuzaki, and M. Toda, "Dimension Reduction for Extracting Geometrical Structure of Multidimensional Phase Space: Application to Fast Energy Exchange in the Reaction O(1D)+N2O → NO+NO," Phys. Rev. A, 75, 022714(1-11) (2007).
-
S. Kawai, Y. Fujimura, O. Kajimoto, and T. Yamashita, "Quasiclassical Trajectory Study of O(1D)+N2O → NO+NO: Classification of Reaction Paths and Vibrational Distribution," J. Chem. Phys., 124, 184315(1-9) (2006).
-
T. Yamashita, and S. Kato, "Resonance Raman Spectra of NOCl: A New Potential Function Set, Absorption Spectrum, and Photodissociation Mechanism," J. Chem. Phys., 121, 2105-2116 (2004).