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
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
Large-scale device-material research by massively parallel electronic structure calculation and data science
ISSP Activity Report 2018…続きを読む
Rashba effects in surface-Bi nanostructures
ISSP Activity Report 2018…続きを読む
First-principles study on the nanoscale physics of Nd2Fe14B
ISSP Activity Report 2018…続きを読む
Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation
ISSP Activity Report 2018…続きを読む
First-principles Thermodynamics and Statistical Mechanics Simulations of Catalytic Reactions at Solid Surfaces
ISSP Activity Report 2018…続きを読む
Magnetic properties of Fe/Pd(001) bilayer affected by quantum-well states in Pd layer
ISSP Activity Report 2018…続きを読む
Development of High-performance Perfluoro Polymer Electret
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