Molecular Dynamics of Stretched Polymer Chains
ISSP Activity Report 2023, p. 347…続きを読む
Two-dimensional structures for non-layered materials
ISSP Activity Report 2023, p. 128…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
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
Many-body quantum simulations based on multi-scale space-time ansatz
ISSP Activity Report 2023, p. 241-242…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
Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation
ISSP Activity Report 2024, p. 138…続きを読む
Computational Studies of Pressure Effects on Electronic Correlations and Superconductivity in Organic Conductors
ISSP Activity Report 2024, p. 232-233…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
Non-perturbative calculation of exchange coupling tensor
ISSP Activity Report 2024, p. 104…続きを読む