Theoretical Chemistry for Advanced Nanomaterials

Taku Onishi is Japanese scientist. He graduated from Faculty of Science, Osaka University, Japan in 1998, and got PhD from Graduate School of Science, Osaka University, Japan in 2003. He got a permanent position at Faculty of Engineering, Mie University, Japan in 2003. He has been a guest researcher of Department of Chemistry, University of Oslo, Norway since 2010. His research covers several scientific fields such as computational chemistry, quantum physics and material science. He has served on international scientific activities: Member of Royal Society of Chemistry; Chair of Computational Chemistry (CC) symposium; Science Committee of International Conference of Computational Methods in Sciences and Engineering (ICCMSE); Editorial Board Member of Journal of Computational Methods in Sciences and Engineering (JCMSE), Cogent Chemistry and Cogent Engineering etc.

• Theoretical Chemistry for Advanced Nanomaterials: Computational and Experimental Approaches.- Quantum Chemistry in Perovskite Fluoride and Hydride: Nanoscale Hydride Ion Conduction.- Local dielectric constant density analysis of high-k dielectric nanomaterial.- Nano-scale first-principles electronic structure simulations of materials relevant to organic electronics.- Enabling materials by dimensionality: from 0D to 3D carbon-based nanostructures.- Group 13-15 needle-shaped oligomers and nanorods: structures and electronic properties.- Computational and Experimental Analysis of Carbon Functional Nanomaterials.- Electronic properties of transition metal-benzene sandwich clusters.- Si nanpowder for photoluminescence and hydrogen generation materials.- New Na+ superionic conductor Narpsio glass-ceramics.- Surface characterization of plasma-electrolytic oxidized coatings by X-Ray photoelectron spectroscopy.- Inter-spin Interactions of Organic Radical Chains in Organic1D Nanochannels: An ESR Study of the Molecular Orientations and Dynamics of Guest Radicals.- If truncated wave functions of excited state energy saddle points are computed as energy minima, where is the saddle point?.- Simulating Quantum Dynamics in Classical Nanoscale Environments.