Organizations and Members

Principal Investigator

Atsushi Oshiyama (Designated Professor, Institute of Materials and Systems for Sustainability, Nagoya University)

Representative Research Institute: Nagoya University

We use the materials computation applications developed based on quantum theory in the Post-K project to elucidate and predict the properties of the interface and thin-film growth surface in energy-saving semiconductors. We also use the developed quantum device simulator to predict the properties of power devices and nanodevices, and compare the predictions with experimentally observed properties, thereby contributing to the development of high-performance device design. Furthermore, we combine materials computation data with experimental data (data assimilation) and employ the process informatics approach to develop quantum epitaxial multiscale simulation techniques, thereby contributing to the advancement of thin-film growth technology.

Atsushi Oshiyama (Designated Professor, Institute of Materials and Systems for Sustainability, Nagoya University)
Kenji Shiraishi (Professor, Institute of Materials and Systems for Sustainability, Nagoya University)
Kieu My Bui (Designated Assistant Professor, Institute of Materials and Systems for Sustainability, Nagoya University)
Fumihiro Imoto (Researcher, Institute of Materials and Systems for Sustainability, Nagoya University)
Kenta Chokawa (Researcher, Institute of Materials and Systems for Sustainability, Nagoya University)
Hiroshi Amano (Professor, Institute of Materials and Systems for Sustainability, Nagoya University)
Shugo Nitta (Designated Associate Professor, Institute of Materials and Systems for Sustainability, Nagoya University)
Tetsu Kachi (Designated Professor, Institute of Materials and Systems for Sustainability, Nagoya University)
Zheng Ye (Researcher, Institute of Materials and Systems for Sustainability, Nagoya University)
Shao-Liang Zhang (Professor, Graduate School of Engineering, Nagoya University)
Tomohiro Sogabe (Associate Professor, Graduate School of Engineering, Nagoya University)

Collaborative Research Institute: Osaka University

We couple the semiconductor device simulator (NEGF and MC) developed in the Post-K Project Priority Issue 7 with the real-space first principles calculation code (RSDFT) to elucidate the properties of SiC and GaN power devices as well as Si nanowire devices, thereby contributing to the improvement of device design.
We also compare the simulation results with experimental data in SiC and GaN power device development, thereby contributing to the realization of next-generation energy-saving power devices.

Nobuya Mori (Professor, Graduate School of Engineering, Osaka University)
Gennady Mil’nikov (Researcher, Graduate School of Engineering, Osaka University)
Heiji Watanabe (Professor, Graduate School of Engineering, Osaka University)

Collaborative Research Institute: Tokyo Institute of Technology

We use the real-space first-principles calculation code (RSDFT) developed in the Post-K Project Priority Issue 7 and the first-principles calculation code for many-body systems (WaveX, GFCCSD) developed in the Exploratory Research objective 1 to identify carrier traps at the interface of power semiconductor devices, thereby contributing to the formulation of guidelines for high-performance device interface design.

Yuichiro Matsushita (Specially Appointed Associate Professor, Tokyo Tech Academy for Convergence of Materials and Informatics, Tokyo Institute of Technology)
Taichi Kosugi (Researcher, Tokyo Tech Academy for Convergence of Materials and Informatics, Tokyo Institute of Technology)

Collaborative Research Institute: Kyushu University

We develop a new epitaxial growth simulation technique that combines first-principles free-energy calculations using the RSDFT code at the epitaxial growth surface as well as in the vapor phase with flow calculations of the supplied gas in the growth chamber, thereby contributing to the advancement of high-quality thin-film fabrication technologies, especially GaN-MOVPE and HVPE.

Yoshihiro Kangawa (Professor, Research Institute for Applied Mechanics, Kyushu University)
Akira Kusaba (Assistant Professor, Research Institute for Applied Mechanics, Kyushu University)
Keiya Yumimoto (Associate Professor, Research Institute for Applied Mechanics, Kyushu University)

Collaborative Research Institute: Kobe University/Hokkaido University

We use real-space first-principles calculations and transport simulation code (RSPACE) developed in the Post-K Project Priority Issue 7 to identify carrier traps at the interface of power semiconductor devices and to elucidate the mechanism of dielectric breakdown, thereby contributing to the formulation of guidelines for high-performance device interface design.

Tomoya Ono (Professor, Graduate School of Engineering, Kobe University)
Mitsuharu Uemoto (Assistant Professor, Graduate School of Engineering, Kobe University)
Yoshiyuki Egami (Assistant Professor, Graduate School of Engineering, Hokkaido University)

Collaborative Research Institute: Université de Strasbourg

By Car-Parrinello molecular dynamics simulations (CPMD) using the RSDFT code, we elucidate the atom-scale mechanism of chemical reactions on epitaxial growth surfaces, at semiconductor-dielectric interfaces, and in amorphous materials. We provide CPMD simulation consulting services for the representative and collaborative research institutes in this project and other support organizations.

Boero Mauro (Research Director/Professor, Institut de Physique et Chimie des Matériaux de Strasbourg)

Collaborative Research Institute: Quemix Inc.

We use the CPMD simulation as implemented in the RSDFT developed in the Post-K Project Priority Issue 7 to elucidate an atomic-level picture of an amorphous gate insulating films and their electronic properties. We provide CPMD simulation consulting services for the representative and collaborative research institutes in this project and other support organizations.

Jun-Ichi Iwata (Product Manager, Product Development Department, Quemix Inc.)
Hirofumi Nishi (Researcher, Research and Development Department, Quemix Inc.)
Yusuke Nishiya (Researcher, Research and Development Department, Quemix Inc.)

Collaborative Research Institute: Fuji Electric

To improve the properties of SiC and GaN MOSFET devices, we compare the first-principles calculation results with experimental data, identify carrier traps at the interface and within the insulating films, and formulate guidelines for improving the thin-film growth process. We also directly simulate the oxidation, deposition, and post-annealing processes.

Takayuki Hirose (Advanced Technology Laboratory, Fuji Electric)
Masaharu Edo (Senior Manager, Advanced Technology Laboratory, Fuji Electric)
Shinya Takashima (Manager, Advanced Technology Laboratory, Fuji Electric)
Yuki Ohuchi (Corporate Technology Development Office, Fuji Electric)

Collaborative Research Institute: NuFlare Technology

We develop an epitaxial growth multiscale simulator and use it in this project. We compare the simulation results with data of a real SiC epitaxial growth system to verify the developed simulator. We also formulate design guidelines for improving the epitaxial growth system.

Ichiro Mizushima (Senior Manager, TFW Equipment Engineering Department, NuFlare Technology)
Takashi Yoda (Technology Advisor, NuFlare Technology)
Yoshiaki Daigo (Chief Specialist, TFW Equipment Engineering Department, NuFlare Technology)

Collaborative Research Institute: Tohoku University

We compare the properties of the next-generation Si nanowire vertical BC-MOSFET devices developed by us with the simulation results of the integrated device simulator (RSDFT + NEGF) developed by Nagoya University and Osaka University to design novel devices.

Tetsuo Endoh (Professor/Director, Center for Innovative Integrated Electronic Systems, Tohoku University)

Collaborative Research Institute: Kyoto University

We compare experimental data in SiC power device development undertaken by us with the simulation results by Nagoya University and other institutions. The results contribute to the development of next-generation energy-saving power devices.

Tsunenobu Kimoto (Professor, Graduate School of Engineering, Kyoto University)

Collaborative Research Institute: University of Tsukuba

We employ a computics approach that combines the HPC, AI technology, and materials computation to improve simulations in energy-saving semiconductor device development.

Daisuke Takahashi (Professor, Center for Computational Sciences, University of Tsukuba)
Taisuke Boku (Professor/Director, Center for Computational Sciences, University of Tsukuba)
Tetsuya Sakurai (Professor/Director, Center for Artificial Intelligence Research, University of Tsukuba)