Electrochemical reaction analysis using density functional calculation + implicit solvation model 2
ISSP Activity Report 2020, p. 71-72…Read More
Noisy simulations of first-principles calculations using quantum classical hybrid algorithms
ISSP Activity Report 2020, p. 147-148…Read More
Systematic analysis of ab initio low-energy effective Hamiltonians for Pd(dmit)2 molecular conductors
ISSP Activity Report 2020, p. 189-190…Read More
First-principles study on complexes of impurity and dislocation in GaN p-n diodes
ISSP Activity Report 2020, p. 170…Read More
Mechanisms of Semiconductor Interface Formation and its Electronic Properties based on Quantum Theory
ISSP Activity Report 2020, p. 49-51…Read More
First-principles study of molecule/metal interfaces
ISSP Activity Report 2020, p. 122…Read More
Quantum Simulations on Dynamical Heterogeneous Catalysts
ISSP Activity Report 2020, p. 61-62…Read More
Search and realization of novel electronic properties of solid surfaces and interfaces and of small particles
ISSP Activity Report 2020, p. 163-164…Read More
Development of analysis method for molecular crystal surface using wave number space-resolved photoelectron spectroscopy
ISSP Activity Report 2020, p. 180-181…Read More
First-principles study of atomic and electronic structures of intermetallic compound catalysts
ISSP Activity Report 2020, p. 151…Read More