Calculation of Magnetic Properties and Ground State of Various Novel Organic Radical Magnets by Using ALPS
Hironori Yamaguchi (Osaka Prefecture University) Owing to the wide diversity of chemical modifiers in organic …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
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
Study on structural elementary excitations at semiconductor surfaces and interfaces
ISSP Activity Report 2020, p. 166…Read More
First-principles study of atomic and electronic structures of intermetallic compound catalysts
ISSP Activity Report 2020, p. 151…Read More
Development of open-source software HΦ
Activity report…Read More
Prediction of properties of organic ferroelectrics and piezoelectrics by first-principles calculation
ISSP Activity Report 2021, p. 121-122…Read More
Development of crystal structure prediction methods using machine learning
ISSP Activity Report 2021, p. 76-77…Read More
Study on structural elementary excitations at semiconductor surfaces and interfaces
ISSP Activity Report 2021, p. 129…Read More
Large-scale device-material research by massively parallel electronic structure calculation and data science
Activity Report 2017…Read More