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Mabuchi Lab
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A lab that uses molecular simulation to uncover the movements of molecules invisible to the eye.

AboutAbout the lab
Making the molecular world visible.
The Mabuchi Lab studies the structures formed by biomolecules and polymers, and the behavior of ions moving within them.
Using molecular simulation, the lab uncovers phenomena in a tiny world that is difficult to observe experimentally.
Based on these findings, the lab designs highly efficient, highly functional molecules from theory.
Working with experimental groups, the lab aims at a wide range of applications, from building artificial cells and molecular systems to drug discovery.
Key terms
- Molecular simulation
- A method that uses computers to calculate the motion of atoms and molecules, in order to investigate phenomena that cannot be seen in experiments
- Ion transport
- The movement of tiny electrically charged particles (ions) through materials or cells
- DNA origami
- A technology that folds strands of DNA as designed to build nanostructures of a desired shape
NewsLab news
A doctoral student received the Student Excellent Presentation Award at the 39th Symposium on Molecular Simulation
A master's student received the Best Presentation Award at ICFD2025
A paper from joint research with Nara Medical University and others was published in Nature Communications
A paper from joint research with the Institute for Molecular Science and others was published in Nature Communications
A paper written with researchers at Nagaoka University of Technology was accepted by Small
ResearchResearch themes
Ion transport at the nanoscale plays an important role in a wide range of fields, from biomolecules to polymer materials. The lab uses molecular simulation to elucidate phenomena at spatiotemporal scales that are difficult to observe experimentally, and designs molecules from theory.
*Illustrative imageBiosensors
Abnormalities in ion channels in cell membranes lead to serious diseases. Aiming to build artificial ion channels that selectively pass ions using DNA origami technology, the lab optimizes their design through molecular simulation.
*Illustrative imageDrug Design
Using molecular simulation, the lab designs artificial molecules based on proteins that undergo liquid-liquid phase separation, and supports the design of artificial metalloenzymes being developed by experimental groups. The aim is to develop methods that confine molecules in droplets to control the function of targeted proteins inside cells.
*Illustrative imageHydrogen Production and Fuel Cells
Fuel cell electrolytes use ion-conducting polymers that rapidly transport protons or anions. Using a reactive molecular dynamics (MD) model that the lab built in-house based on quantum chemical calculations, it clarifies the relationship between the structure of water inside the membrane and how ions are conducted.
*Illustrative imageSecondary Batteries
The lab uses molecular simulation to analyze the motion of fullerenes with lithium encapsulated inside, and how lithium ions are transported within the polymer electrolytes used in all-solid-state batteries.
MembersFaculty
The members of the Mabuchi Lab consist of faculty, doctoral, master's, and undergraduate students, technical assistants, and administrative assistants.As of 2026
- Associate ProfessorTakuya Mabuchi
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: “Sargent Molecular Model Kit - DPLA - c6ac8da1cde224cf5fc86d78a495f6ba” E.H. Sargent and Company / Public domain (cropped)
- Biosensors: “DNA Origami Triangular” Matthias A. Fenner / CC BY-SA 4.0 (cropped)
- Drug Design: “TMEM171 Structure Model” Bauma319 / CC BY-SA 4.0 (cropped)
- Hydrogen Production and Fuel Cells: “Toyota Mirai fuel cell stack and hydrogen tank SAO” Mariordo (Mario Roberto Durán Ortiz) / CC BY-SA 4.0 (cropped)
- Secondary Batteries: “Model fullerenu” ZuzanaBrabcova / CC BY-SA 4.0 (cropped)
- Related lab (徳増 研究室): “Wikimedia Foundation Servers-8055 13” Victorgrigas / CC BY-SA 3.0 (cropped)
- Related lab (中村(寿)・金山 研究室): “Flamability of sugar test for recognizing organic and inorganic materials” A01709167 / CC BY-SA 4.0 (cropped)
- Related lab (内一・
LESMANA 研究室): “Nondestructive testing Prommashkomplekt” Balashka at Russian Wikipedia / CC0 (cropped) - Related lab (伊賀 研究室): “M-1 rocket turbopump” Selevercin at English Wikipedia / CC BY 3.0 (cropped)
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