山下雄史

業績
[主要論文]

On the origin of Proton Mobility Suppression in Aqueous Solutions of Amphiphiles;
Jianqing Xu, Takefumi Yamashita, Noam Agmonm, and Gregory A. Voth
J. Phys. Chem. B, (2013) (in press)
High Performance Computing for Drug Development on K computer;
Hideaki Fujitani, Keiko Shinoda, Takefumi Yamashita, and Tatsuhiko Kodama
J. Phys. Conf. Ser. 454 012018(2013)
Insights into the Mechanism of Proton Transport in Cytochrome c Oxidase;
Takefumi Yamashita and Gregory A. Voth
J. Am. Chem. Soc., 134, 1147-1152 (2012)
Computationally Efficient Multiconfigurational Reactive Molecular Dynamics;
Takefumi Yamashita, Yuxing Peng, Chris Knight, and Gregory A. Voth
J. Chem. Theory Comput. 8, 4863-4875 (2012)
Hydrogen-bond assisted enormous broadening of infrared spectra of phenol-water cationic cluster: An ab initio mixed quantum-classical study.;
Takefumi Yamashita and Kazuo Takatsuka
J. Chem. Phys. 126,074304 (15pages)(2007)(Selected for Virtual Journal of Biological Physics Research of APS/AIP)
Excited-state electronic structures and dynamics of NOCl: A new potential function set, absorption spectrum, and photodissociation mechanism;
Takefumi Yamashita and Shigeki Kato
J. Chem. Phys. 121, 2105-2116 (2004)

山下 雄史