Understanding superionic conductivity in disordered systems using machine learning potential molecular dynamics and Monte Carlo sampling
ISSP Activity Report 2021, p. 51-52…続きを読む
Structural analysis of surface superstructures and atomic layer materials using by 2DMAT on supercomputer system at ISSP
ISSP Activity Report 2021, p. 299-300…続きを読む
Fusion of computational material science and data-driven science with massively parallel computation
ISSP Activity Report 2020, p. 82-83…続きを読む
Confirmation of stress-overshoot phenomena under biaxial elongational flow of ring-linear mixtures
ISSP Activity Report 2020, p. 163-164…続きを読む
Machine learning and ab initio analyses of cuprate high-temperature superconductors
ISSP Activity Report 2020, p. 184-186…続きを読む
Development and applications of first principles method for light-matter interactions beyond the dipole approximation
ISSP Activity Report 2020, p. 111…続きを読む
Ab initio analysis on the stability of magnetic ternary alloys
ISSP Activity Report 2020, p. 81…続きを読む
First-principles Calculation of Electric Field Effects in Spin-to-charge Conversion Materials
ISSP Activity Report 2020, p. 150…続きを読む
Study on structural elementary excitations at semiconductor surfaces and interfaces
ISSP Activity Report 2020, p. 166…続きを読む
Electrochemical reaction analysis using density functional calculation + implicit solvation model 2
ISSP Activity Report 2020, p. 71-72…続きを読む