Quantum Simulations on Dynamical Heterogeneous Catalysts
ISSP Activity Report 2020, p. 61-62…続きを読む
First Principles Calculation of 2-Dimensional Silicides Formed on Nickel Surfaces
ISSP Activity Report 2019, p. 181-182…続きを読む
Atomic and electronic structures of intermetallic compound catalysts
ISSP Activity Report 2019, p. 162…続きを読む
Mechanisms of Semiconductor Interface Formation and its Electronic Properties based on Quantum Theory
ISSP Activity Report 2020, p. 49-51…続きを読む
First principles study on leaking current at a dislocation in doped semiconductors
ISSP Activity Report 2019, p. 151-152…続きを読む
Mechanisms of Semiconductor Interface Formation and its Electronic Properties based on Quantum Theory
ISSP Activity Report 2019, p. 44-46…続きを読む
Search and realization of novel electronic properties of solid surfaces and interfaces and of small particles
ISSP Activity Report 2020, p. 163-164…続きを読む
Ab initio phonon calculation for Ca5Ir3O12
ISSP Activity Report 2019, p. 66-67…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
Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation
ISSP Activity Report 2021, p. 121-122…続きを読む