Non-perturbative calculation of exchange coupling tensor
ISSP Activity Report 2024, p. 104…続きを読む
Electrochemical reaction analysis using density functional calculation + implicit solvation model 6
ISSP Activity Report 2024, p. 59-60…続きを読む
Theoretical Study for Mixed-sequence Oligomer Salt Modeling Doped PEDOT Family
ISSP Activity Report 2023, p. 237…続きを読む
Two-dimensional structures for non-layered materials
ISSP Activity Report 2023, p. 128…続きを読む
Molecular Dynamics of Stretched Polymer Chains
ISSP Activity Report 2023, p. 347…続きを読む
Many-body quantum simulations based on multi-scale space-time ansatz
ISSP Activity Report 2023, p. 241-242…続きを読む
Structure analysis of Sb/Bi heterostructure on Si(111) by Total-Reflect High-Energy Positron Diffraction with 2DMAT
ISSP Activity Report 2023, p. 332-333…続きを読む
Physical origin of forming ferroelectric nematic phase
ISSP Activity Report 2023, p. 277…続きを読む
Analysis of ab initio Hamiltonians for molecular solid (TMTTF)2PF6 under pressure
ISSP Activity Report 2023, p. 217…続きを読む
Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation
ISSP Activity Report 2023, p. 152…続きを読む