日本語
 Faculty
 Division of Natural Sciences
 Research Group of Chemistry
Associate Professor
OHTA   Yasuhito

Other faculty or department / position
Faculty of Science Department of Chemistry,Biology, and Environmental Sciences Courses of Chemistry
Graduate School of Humanities and Sciences Master's Course Department of Chemistry
Graduate School of Humanities and Sciences Doctoral Course School of Natural Science and Ecological Awareness

Academic degrees
博士(理学)  Kanazawa University  2001/03 

Current research field
Physical Chemistry 

Research keywords
分子動力学 量子化学 量子波束 

Subject of research
Quantum chemical molecular dynamics simulation of the self-organization reaction of nano materials  Quantum chemical molecular dynamics Density functional tight-binding method   

Papers
Temperature-dependent BN cluster formation dynamics from a boron cluster: Density-functional tight-binding molecular dynamics simulations  Computational Materials Science  Academic Journal  Only  139, 16–25  2017/07      10.1016/j.commatsci.2017.07.018   
Possible Mechanism of BN Fullerene Formation from a Boron Cluster: Density-Functional Tight-Binding Molecular Dynamics Simulations  Journal of Computational Chemistry  Academic Journal  Only  37, 886-895  2016/01  Yasuhito Ohta    10.1002/jcc.24287   
Quantum chemical simulations reveal acetylene-based growth mechanisms in the chemical vapor deposition synthesis of carbon nanotubes  Carbon  Academic Journal  Joint  72, 22-37  2014/01  Ying Wang, Xingfa Gao, Hu-Jun Qian, Yasuhito Ohta, Xiaona Wu, Gyula Eres, Keiji Morokuma, Stephan Irle  0008-6223  10.1016/j.carbon.2014.01.020   
QM/MD simulation of SWNT nucleation on transition-metal carbide nanoparticles  Journal of the American Chemical Society  Academic Journal  Joint  132, 15699-15707  2010/10  A. J. Page, Honami Yamane, Y. Ohta, S. Irle, and K. Morokuma       
Mechanisms of single-walled carbon nanotube nucleation, growth, and healing determined using QM/MD methods  Accounts of Chemical Research  Academic Journal  Joint  43, 1375-1385  2010/07  A. J. Page, Y. Ohta, S. Irle, and K. Morokuma       
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Memberships of academic societies
日本化学会 -Present  Domestic