18
Computational Materials Science Laboratory
Associate Professor / YAMASHITA Tomoki
- Materials Design & Informatics
- Development of Crystal Structure Prediction Tool
- Self-motivated researches
Associate Professor / YAMASHITA Tomoki
During meetings or seminars, our supervisor always goes the extra mile to ensure that each of the students can comprehend the materials that are presented. Not only that, he also shows tremendous care for his pupils' advancement in their research by testing them on core knowledge that they might have missed.
Research Content
In the past few years, there has been growing interest in applying information science techniques to enhance materials development processes. This emerging field, known as materials informatics, has the potential to significantly improve efficiency and reduce the time and cost associated with materials research. In our laboratory, the Computational Materials Science Laboratory, we are actively engaged in research that implements first-principles calculations with materials informatics. Additionally, we are focusing on developing software that can accurately predict stable crystal structures based on given compositions.
First-principles molecular dynamics simulation
A Day in the Lab
In contrast to your typical Electronic Devices and Light Wave Control Engineering laboratories, our lab pioneers a computational approach, utilizing advanced simulations in lieu of traditional instrumentation. This empowers students to pursue research independently, with flexible schedules and remote access. We foster a collaborative environment with weekly/biweekly seminars designed to bridge knowledge gaps, welcoming both machine learning experts and rookies. Join us and explore the cutting edge of materials science, one "atom" at a time!
Student desk
Thesis Subjects
- (M)Crystal structure prediction for oxide lithium-ion conductors using first-principles calculations
- (M)Structure prediction of SrO on MgO substrate by first-principles calculations
- (M)Theoretical investigation of Li-ion diffusion mechanism in Li4xMg2(1-x)P2O7 using molecular dynamics
The number of
PhD Graduates
0
Major employers of Graduates
- Sorimachi Giken Co., Ltd.
- OPT Gate Co.,Ltd.
- Mitsubishi Electric Software Co.
- Mazda Motor Co.
- Accenture Japan Ltd.
