Quantum Simulations on Dynamical Heterogeneous Catalysts
ISSP Activity Report 2020, p. 61-62…続きを読む
First-principles Theoretical Study of Chemical Reactions in Heterogeneous Catalysts
ISSP Activity Report 2019, p. 95-96…続きを読む
First-principles study of molecule/metal interfaces
ISSP Activity Report 2020, p. 122…続きを読む
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
Study on physical properties of structural elementary excitations of semiconductor surfaces and interfaces
ISSP Activity Report 2019, p. 45-46…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
First-principles Calculation of Electric Field Effects in Spin-to-charge Conversion Materials
ISSP Activity Report 2020, p. 150…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
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
Ab Initio Calculation of High-Rate Deposition of Copper Film by Low-Pressure Chemical Vapor Deposition with CuI on Ru Substrate
ISSP Activity Report 2019, p. 158…続きを読む