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Computational Materials Physics Lab
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The lab predicts material properties and designs materials through calculations at the level of electrons and atoms.
AboutAbout the lab
Designing materials through calculations of electrons and atoms.
The Kimizuka-Ohto Lab studies the properties of materials using computational science methods that examine materials at the level of electrons and atoms.
The lab aims to clarify the microscopic mechanisms at work inside materials, predict their properties, and apply this knowledge to the design of materials with new functions.
The main targets are solid materials such as metals, alloys, and ceramics, and the lab investigates phenomena related to strength and deformation from a microscopic perspective.
For research on hydrogen permeation membranes, the lab has a setup that allows both experimental and computational approaches.
Key terms
- Electronic structure calculation
- A method that calculates the behavior of electrons in matter based on quantum mechanics to determine how atoms bond and what properties the material has
- Hydrogen permeation membrane
- A metal membrane that allows only hydrogen to pass through. It is used to extract high-purity hydrogen from mixed gases
- Nanoprecipitate
- A tiny particle, on the order of nanometers in size, formed when dissolved elements gather together inside an alloy. It strongly influences the strength of the alloy
NewsLab news
A paper with a doctoral student as first author was published in Polymer
A joint research group including Associate Professor Ohto developed a catalyst that converts nitric acid into ammonia
A paper with an alumnus as a co-author was published in STAM
A master's student received an Outstanding Presentation Award at the master's thesis presentation session
A master's student received an Excellence Award at the 35th Materials Forum TOKAI
ResearchResearch themes
The lab uses computational science to clarify the microscopic mechanisms inside materials, aiming to predict material properties and design new materials. Using electronic structure calculations, molecular simulations, and other methods, it investigates phenomena related to the strength, deformation, and various other properties of metals, alloys, and ceramics.
*Illustrative imageBehavior of Hydrogen Inside Materials
This modeling research clarifies from first principles how hydrogen moves in metals and alloys and where it becomes trapped, aiming to apply the findings to the design of hydrogen storage materials and hydrogen permeation membranes. Hydrogen permeation membranes are studied through both experiments and calculations.
*Illustrative imageNanoprecipitates in Light, Strong Alloys
In light alloys such as magnesium and aluminum alloys, the lab uses electronic structure calculations to clarify how nanoprecipitates, which are key to alloy strength, form. In collaboration with experimental groups, it also validates the results by comparing them with experimental data such as microscopy observations.
MembersFaculty
The members of the Kimizuka-Ohto Lab are faculty and doctoral, master's, and undergraduate students.As of 2026
- ProfessorHajime Kimizuka
- Associate ProfessorTatsuhiko Ohto
- Assistant ProfessorHiroshi Yukawa
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: “Titania supported gold nanocluster” Kronber1 / CC BY-SA 4.0 (cropped)
- Behavior of Hydrogen Inside Materials: “Vanadium crystal” Tavoromann / CC BY-SA 4.0 (cropped)
- Nanoprecipitates in Light, Strong Alloys: “Magnesium dendritic” John Brandauer / CC BY-SA 3.0 (cropped)
- Related lab (機能性マテリアル創成工学研究グループ（旭 良司）
): “Beta-Barium Orthotitanate crystal structure” WilliamDParker / CC BY-SA 3.0 (cropped) - Related lab (構造材料設計学研究グループ): “Iss071e ) --- A metal specimen 3D printed on the ground for ESA’s Metal 3D Printer investigation” NASA Johnson Space Center / Public domain (cropped)
- Related lab (エネルギー機能設計工学研究グループ): “Lithium-cobalt-oxide-3D-polyhedra” Ben Mills / Public domain (cropped)
- Related lab (材料加工工学研究グループ): “(Employees of Foundry Departmant, working pouring molten metal into molds, US Navy Yard, Mare Island, CA) - NARA - 296870” 作者不詳 / Public domain (cropped)
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