About us
Computational Materials Science Laboratory (Yamashita Laboratory) is a new laboratory established in November 2019 at Nagaoka University of Technology, Department of Electrical, Electronics and Information Engineering, Electronic Devices and Photonics Engineering Group. We have been working on condensed matter physics and materials design using first-principles calculations and materials informatics. We have also developed a crystal structure prediction tool, CrySPY, which is available as open source software.
A method for computing the electronic structure of materials based on quantum mechanics. In our laboratory, we are working with program packages such as VASP and Quantum ESPRESSO.
A research field that applies informatics such as AI and machine learning to materials science. Discovery of new mechanisms related to physical properties and application to new material design are expected.
Method for predicting a stable crystal structure for a given chemical composition (number of atoms). We are developing highly efficient searching methods using machine learning, and we are also studying its application to new material design.
Member
Faculty and Staff
Tomoki Yamashita
Specially Appointed Associate Professor
M2
Takumi Sato
M2
M1
Takuma Otani
M1
B4
Keita Kato
B4
Shin Yamai
B4
Alumni
Momoka Noguchi
1st generation
Taishi Igari
2nd generation
Access
yamashita06
vos.nagaokaut.ac.jp
(replace “at”)
Address
Room 463 and 556, Second building of Electrical Engineering Department,
Nagaoka University of Technology,
1603-1 Kamitomioka-machi, Nagaoka, Niigata, 940-2188, JAPAN