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Mochizuki Lab
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A lab that designs new materials inside a computer using first-principles calculations.

AboutAbout the lab
Designing new materials inside a computer
Mochizuki Lab works on developing materials based on computational materials science and on elucidating the mechanisms behind their properties.
Developing materials with excellent functions without using expensive rare metals or toxic elements harmful to the human body is regarded as an important research challenge in resource-poor Japan.
Using first-principles calculations that employ no empirical parameters at all, the lab designs materials inside a computer and takes on the search for new materials that could play a leading role in the next generation.
The research fields listed include phonons, symmetry, negative thermal expansion materials, ferroelectrics, and surfaces.
Key terms
- first-principles calculation
- A theoretical calculation that uses no empirical parameters at all. Used for materials design inside a computer.
- negative thermal expansion material
- A material whose lattice volume and lattice constants decrease as the temperature rises.
ResearchResearch themes
In resource-poor Japan, developing materials with excellent functions without using expensive rare metals or harmful elements is regarded as an important research challenge. This lab designs materials inside a computer based on first-principles calculations.
View More ↗MembersFaculty
- LecturerYasuhide Mochizuki
VoicesStudent voices
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Report an errorAbout the images
The top and research theme images are illustrative and were not taken at the lab. They are cropped from Wikimedia Commons images. Cropped CC BY-SA images are provided under the same CC BY-SA license as the original (version shown on each line).
- Top image: “Crystal structure of gamma-Oxygen” Forbes72 / CC BY-SA 4.0 (cropped)
- Designing materials by computation: “Pyrope crystal structure” Kent G. Budge / CC BY-SA 4.0 (cropped)
- Related lab (西尾研究室): “CO2 Sensor SCD30” Sensirion AG / CC BY-SA 4.0 (cropped)
- Related lab (勝又研究室): “Tomek Rygalik Kobro Tribute Chair 2026 transparent glass Polish modernism exhibition Warsaw 2026” Siarhei V / CC BY-SA 4.0 (cropped)
- Related lab (小嗣研究室): “Alnico magnet assortment” 作者不詳 / Public domain (cropped)
- Related lab (田村研究室): “Rendering of quasicrystal lattice structure” LinKayser / CC BY-SA 4.0 (cropped)
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