T. Ohwaki

发表

Large-scale first-principles molecular dynamics for electrochemical systems with O(N) methods.

Taisuke Ozaki, Tamio Ikeshoji, Minoru Otani, 2012, The Journal of chemical physics.

A DFT study of electric field effects on proton transfer reactions at H+(H2O)2/Pt(111) and Ag(111)

K. Yamashita, T. Ohwaki, 2001 .

Local Structure of Li-rich Layered Cathode Material Li[Ni0.17Li0.2Co0.07Mn0.56]O2

Yuichi Sato, Atsushi M. Ito, Y. Ohsawa, 2010 .

Electric Field Effects on Electron Transfer between H^+ and Carbon-Based Electrode Surfaces : A DFT and Anderson-Newns Hamiltonian Analysis Study

K. Yamashita, T. Ohwaki, Taka‐Aki Murai, 2002 .

Electric Field Effects on the Adsorption, Charge Transfer and Vibrational State at Metal Electrodes: A DFT Study on H2O/Pt(111), H2O/Pt(100) and (H2O)2/Pt(111).

K. Yamashita, T. Ohwaki, K. Kamegai, 2001 .

Two-Dimensional Effects on the Oxygen Reduction Reaction and Irreversible Surface Oxidation of Metallic Ru Nanosheets and Nanoparticles

T. Itoh, W. Sugimoto, T. Ohwaki, 2019, ACS Applied Nano Materials.

Exploring the capability of mayenite (12CaO·7Al2O3) as hydrogen storage material

T. Itoh, K. Hirao, T. Ishigaki, 2021, Scientific Reports.

Li deposition and desolvation with electron transfer at a silicon/propylene-carbonate interface: transition-state and free-energy profiles by large-scale first-principles molecular dynamics.

Yukihiro Okuno, T. Ozaki, M. Otani, 2018, Physical chemistry chemical physics : PCCP.

A method of orbital analysis for large-scale first-principles simulations.

Taisuke Ozaki, Minoru Otani, T. Ozaki, 2014, The Journal of chemical physics.

Theoretical Mn K-edge XANES for Li2MnO3: DFT + U study

R. Kobayashi, T. Tamura, S. Ogata, 2012 .