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
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
Chemical doping of nano-structured PbS
ISSP Activity Report 2018…続きを読む
Magnetic properties of rare earth mixed crystal magnet materials
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
Numerical study on interplay between stripes and electron-phonon interactions in the Hubbard model
ISSP Activity Report 2017…続きを読む
First-principles study of ionization and diffusion of metal atoms at metal/solid interfaces in electric fields
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
Study on physical properties of structural elementary excitations of semiconductor surfaces and interfaces
ISSP Activity Report 2018…続きを読む
Design of organic structure-directing agents for the synthesis of zeolites with controlled active sites
ISSP Activity Report 2017…続きを読む