First-principles study of ionization and diffusion of metal atoms at metal/solid interfaces in electric fields: toward semiconductor and organic substrates
ISSP Activity Report 2018…続きを読む
Electronic structure of light rare earth permanent magnets
Saturation magnetic polarization of the system plotted against the lattice constant and the fictitious atomic …続きを読む
Large-scale device-material research by massively parallel electronic structure calculation and data science
ISSP Activity Report 2018…続きを読む
Monte Carlo study of Ising model with non-integer effective dimensions
ISSP Activity report 2017…続きを読む
MateriAppsLive! とOpenMX を用いた計算材料学の講義
Determination of Scattering Length of Bose-Hubbard Model by Quantum Monte Carlo Simulations
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Direct coupling of replica exchange Monte Carlo method with first-principles calculations for thermodynamic sampling of configurational disorder in solids
ISSP Activity Report 2018…続きを読む
Numerical analysis of non-equilibrium dynamics of polymeric liquid and solid
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Design of organic structure-directing agents for the synthesis of zeolites with controlled active sites
ISSP Activity Report 2017…続きを読む
Rotational dynamics in [Cnmim][PF6] ionic liquids
ISSP Activity Report 2017…続きを読む