127 citations · 358 across the 16 of their papers we have counts for
16 papers
Prediction of Born effective charges using neural network to study ion migration under electric fields: applications to crystalline and amorphous LiPO
Koji Shimizu, Ryuji Otsuka, Masahiro Hara +2
Understanding ionic behaviour under external electric fields is crucial to develop electronic and energy-related devices using ion transport. In this study, we propose a neural net…
Non-charge-transfer origin of Tc Enhancement in a Surface Superconductor Si(111)-(root7xroot3)-In with Adsorbed Organic Molecules
Kenta Yokota, Shunsuke Inagaki, Wenxuan Qian +5
The effects of adsorption of Zn-phthalocyanine (ZnPc) molecules on the superconductivity of the Si(111)-(root7xroot3)-In surface are studied through transport measurements under ul…
Persistent homology-based descriptor for machine-learning potential of amorphous structures
Emi Minamitani, Ippei Obayashi, Koji Shimizu +1
High-accuracy prediction of the physical properties of amorphous materials is challenging in condensed-matter physics. A promising method to achieve this is machine-learning potent…
Using neural network potential to study point defect properties in multiple charge states of GaN with nitrogen vacancy
Koji Shimizu, Ying Dou, Elvis F. Arguelles +3
Investigation of charged defects is necessary to understand the properties of semiconductors. While density functional theory calculations can accurately describe the relevant phys…
Ab initio analysis for initial process of Joule heating in semiconductors
Emi Minamitani
To investigate the initial process of Joule heating in semiconductors microscopically and quantitatively, we developed a theoretical framework for the ab initio evaluation of the c…
Topological descriptor of thermal conductivity in amorphous materials
Emi Minamitani, Takuma Shiga, Makoto Kashiwagi +1
Quantifying the correlation between the complex structures of amorphous materials and their physical properties has been a long-standing problem in materials science. In amorphous…