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.


Lab. poster (in Japanese)


First-principles calculations

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.

Materials informatics

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.

Crystal structure prediction

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

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Tomoki Yamashita

Specially Appointed Associate Professor

M2

M1

B4

B3

Alumni

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Momoka Noguchi

1st generation

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Taishi Igari

2nd generation

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E-mail

yamashita06 vos.nagaokaut.ac.jp
(replace “at”)

Twitter

@TomokiYamashita3

Address

Room 556, Second building of Electrical Engineering Department,
Nagaoka University of Technology,
1603-1 Kamitomioka-machi, Nagaoka, Niigata, 940-2188, JAPAN

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