Non-perturbative calculation of exchange coupling tensor
ISSP Activity Report 2024, p. 104…Read More
Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation
ISSP Activity Report 2024, p. 138…Read More
Theoretical Simulation of Subcycle Reciprocal-Space Images of Electron Density Driven by a Strong Laser Field
ISSP Activity Report 2024, p. 153…Read More
Development of Fast Calculation Codes of Berry Phases in First-principles Calculations and its Application to Energy Conversion Materials
ISSP Activity Report 2024, p. 131…Read More
First-Principles Elucidation of Conducting Mechanisms in OligoEDOT Complexes: Towards Molecular Design Guidelines for High Conductivity
ISSP Activity Report 2024, p. 285…Read More
Surface Structure Analysis and Atomic Force Microscopy Simulation Using DFT
ISSP Activity Report 2024, p. 16-23…Read More
Free-energy evaluation of alloys
ISSP Activity Report 2024, p.86…Read More
Structure analysis of atomic layer alloy with Rashba effect studied by TRHEPD
ISSP Activity Report 2024, p. 358-359…Read More
ChiQ: Momentum-dependent susceptibilities in dynamical mean-field theory
ISSP Activity Report 2024, p. 378-379…Read More
Understanding Fast Ion Conduction in Inhomogeneous Materials
ISSP Activity Report 2024, p. 358-359…Read More