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Yanai Lab
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A lab that uses quantum chemical calculations to explore the properties and reactivity of molecules from the behavior of electrons.
AboutAbout the lab
Exploring chemical change through the behavior of electrons
The Yanai Lab conducts theoretical research that uses quantum chemical calculations to analyze and predict the chemical properties and reactivity of molecules.
Taking the view that the essence of chemistry lies in the deformation of molecules, and that such changes are fundamentally brought about by the behavior of electrons, the lab investigates the underlying mechanisms and principles.
To that end, the lab establishes advanced theories and algorithms, and also aims to provide theoretical tools useful for creating transformative molecules that generate change.
Key terms
- Quantum chemical calculation
- A method that solves the equations of quantum mechanics describing the behavior of electrons on a computer to study the properties and reactions of molecules.
- Algorithm
- The procedures and rules of computation used to have a computer carry out a process.
NewsLab news
Discovery of a blue light-emitting material with high color purity using AI and quantum chemistry
Elucidation of how plants sense hydrogen peroxide signals
Synthesis of functional molecular nanocarbons inside insects
Development of a nitrogen radical catalyst generated by hydrogen-bond formation and blue light
Development of near-infrared fluorescent molecules using in silico screening
ResearchResearch themes
Based on quantum chemical calculations as a core technology, the lab carries out theoretical research that analyzes and predicts the chemical properties and reactivity of molecules. It also aims to establish advanced theories and algorithms for this purpose and to provide them as theoretical tools.
View More ↗MembersFaculty
- ProfessorTakeshi Yanai
- Project Associate ProfessorKazuhiro Fujimoto
- Assistant ProfessorMasaaki Saito
- Assistant ProfessorNaoto Inai
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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: “Tannic acid ESP” Mplanine / CC BY-SA 4.0 (cropped)
- Related lab (生物無機化学研究室 (荘司研究室)): “CSIRO ScienceImage 300 Protein Crystals for Use in Experiments” Health Sciences and Nutrition, CSIRO / CC BY 3.0 (cropped)
- Related lab (無機化学研究室 (唯研究室)): “U.S. Department of Energy - Science - )” U.S. Department of Energy from United States / Public domain (cropped)
- Related lab (光物理化学研究室 (菱川研究室)): “COVID-19- DOE Response Researchers with UEM microscope ( )” U.S. Department of Energy from United States / Public domain (cropped)
- Related lab (物性物理化学研究室 (須田研究室)): “Laborglas-vriious hg” Hannes Grobe / CC BY-SA 4.0 (cropped)
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