Determination of Scattering Length of Bose-Hubbard Model by Quantum Monte Carlo Simulations
Activity report 2017…続きを読む
Ab initio inspection on doping effects on rare-earth permanent magnets
ISSP Activity Report 2018…続きを読む
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
Large-scale device-material research by massively parallel electronic structure calculation and data science
ISSP Activity Report 2018…続きを読む
Rotational dynamics in [Cnmim][PF6] ionic liquids
ISSP Activity Report 2017…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
Papers using PolyParGen
M. Yabe, K. Mori, K. Ueda, M. Takeda, Journal of Computer Chemistry, Japan -International Edition Vol. 5, 2018…続きを読む
First-principles calculations of magnetic ultrathin films on surfaces
Activity Report 2017…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
Study on physical properties of structural elementary excitations of semiconductor surfaces and interfaces
ISSP Activity Report 2017…続きを読む