8 citations · 13 across the 7 of their papers we have counts for
7 papers · 1 filter
Electrochemical Properties and Crystal Structure of Li+ / H+ Cation-exchanged LiNiO2
Takahiro Toma, Ryo Maezono, Kenta Hongo
LiNiO2 has high energy density but easily reacts with moisture in the atmosphere and deteriorates. We performed qualitative and quantitative evaluations of the degraded phase of Li…
Quantum annealing approach to Ionic Diffusion in Solid
Keishu Utimula, Tom Ichibha, Genki I. Prayogo +3
We have developed a framework for using quantum annealing computation to evaluate a key quantity in ionic diffusion in solids, the correlation factor. Existing methods can only cal…
Stochastic estimations of a total number of classes for the clusterings with too enormous samples to be accommodate into a clustering engine
Keishu Utimula, Genki I. Prayogo, Kousuke Nakano +2
We considered the problem how to handle the exploding number of possibilities to be sorted into irreducible classes by using a clustering tool when its input capacity cannot accomm…
Ti interstitial flows giving rutile TiO reoxidation process enhanced in (001) surface
Tom Ichibha, Anouar Benali, Kenta Hongo +1
We revisited ab initio evaluations of the energy barriers along the possible diffusion paths of the defects in rutile TiO. By using a method carefully considering the cancellat…
Method for the calculation of the Hamaker constants of organic materials by the Lifshitz macroscopic approach with DFT
Hideyuki Takagishi, Takashi Masuda, Tatsuya Shimoda +2
The Hamaker constants, which are coefficients providing quantitative information on intermolecular forces, were calculated for a number of different materials according to the Lifs…
Importance of vdW and long-range exchange interactions to DFT-predicted docking energies between plumbagin and cyclodextrins
Tom Ichibha, Ornin Srihakulung, Guo Chao +4
We calculated the docking energies between plumbagin and cyclodextrins, using density functional theory (DFT) with several functionals and some semi-empirical methods. Our DFT resu…