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Tateyama Lab
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A lab that uses computation and data to uncover what happens inside batteries and catalysts.
AboutAbout the lab
Looking inside batteries and catalysts through computation.
The Tateyama-Ando Lab studies rechargeable batteries, catalysts, fuel cells, and solar cells using theory, computation, and data science.
Using supercomputers, the lab runs calculations to investigate what happens inside materials at the level of atoms and electrons.
Its main tools are first-principles calculations (density functional theory) and molecular dynamics, and it also works on machine learning and large-scale data generation.
The lab also develops the computational methods and programs this work requires on its own.
Key terms
- First-principles calculation
- Calculations that determine the properties of a material from the fundamental laws governing electron behavior, without using experimental values
- Molecular dynamics
- A method that calculates the forces acting on atoms and molecules and reproduces their motion over time
- All-solid-state battery
- A battery that uses a solid electrolyte instead of a liquid electrolyte
NewsLab news
Published a paper on interfaces in all-solid-state batteries, jointly with the Japan Fine Ceramics Center
A paper by a PhD student on the degradation of garnet-type solid electrolytes was published
Published a paper on cathodes for sodium-ion batteries, jointly with Tokyo University of Science
Published a paper on the GW method, jointly with Yokohama National University
Published a paper on the catalytic mechanism of ruthenium, jointly with the Institute for Solid State Physics, the University of Tokyo
ResearchResearch themes
The lab conducts research in theory, computation, and data science on rechargeable batteries, catalysts, fuel cells, and solar cells. While opening up new fundamental principles in electrochemistry, surface and interface science, and ionics, it also searches for materials useful for a carbon-neutral society and works out design guidelines for them.
*Illustrative imageTheory, Computation, and Data Science Methods
Using molecular dynamics based on density functional theory, the lab traces electrochemical reactions and ion motion. It also works on interfacial effects under applied voltage, machine learning methods for disordered systems, and nonequilibrium molecular dynamics methods.
*Illustrative imageLithium-Ion Batteries and Next-Generation Batteries
The lab studies lithium deposition and dissolution, dendrites, concentrated electrolytes, and electron and ion transfer at interfaces in lithium-ion batteries. It also covers next-generation batteries using sodium or magnesium, as well as interfaces, coating layers, and ion conduction in all-solid-state batteries.
*Illustrative imageCatalysts, Solar Cells, and Fuel Cells
The lab computationally investigates catalytic reactions of water, hydrogen, oxygen, ammonia, nitrogen, methane, and CO2 on oxide surfaces and interfaces. For perovskite solar cell materials, it studies the states of surfaces and interfaces and ion migration.
MembersFaculty
The members of the Tateyama-Ando Lab consist of faculty, postdoctoral researchers, PhD, master's, and undergraduate students, visiting researchers, research support staff, and administrative support staff.As of 2026
- ProfessorYoshitaka TateyamaPublications ↗
- Associate ProfessorYasunobu AndoPublications ↗
- Assistant ProfessorRyoma SasakiPublications ↗
- Assistant ProfessorTakeru NakashimaPublications ↗
- Project Assistant ProfessorLuong Huu Duc
- Project ProfessorMichiel Sprik
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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: “Lithium-cobalt-oxide-3D-polyhedra” Ben Mills / Public domain (cropped)
- Theory, Computation, and Data Science Methods: “Electronic density difference Cl Cu111” Cl Cu111 / CC BY-SA 3.0 (cropped)
- Lithium-Ion Batteries and Next-Generation Batteries: “0.5 grams lithium under argon” Hi-Res Images of Chemical Elements / CC BY 3.0 (cropped)
- Catalysts, Solar Cells, and Fuel Cells: “Rooftop solar photovoltaic installation” Marta Victoria / CC BY-SA 4.0 (cropped)
- Related lab (松田研究室): “Robot arm handles an assay plate” National Institute of Allergy and Infectious Diseases / Public domain (cropped)
- Related lab (中村研究室): “Chimney-hires” NOAA Vents Program / Public domain (cropped)
- Related lab (平山研究室): “Coin-cells” Gerhard H Wrodnigg / CC BY-SA 2.5 (cropped)
- Related lab (荒井研究室): “Lithium-ion coin cell batteries in laboratory testing fixture” Chingo K / CC BY 4.0 (cropped)
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