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Molecular Assembly Chemical Engineering Lab
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The lab investigates the mechanisms behind the functions of soft molecular assemblies such as solutions, micelles, and lipid membranes.
AboutAbout the lab
Unraveling the diverse functions that arise from molecular assemblies
The Molecular Assembly Chemical Engineering Lab studies soft molecular assemblies, such as solutions, micelles, and lipid membranes, that combine order and fluctuation.
When molecules assemble, a wide range of functions emerge depending on conditions such as mixing ratio, temperature, and pressure.
The lab aims to uncover the unifying principles behind these functions and to develop guidelines for designing the function of whole assemblies from the properties of individual molecules.
On the lab's website, it is presented under the name "Molecular Assembly Chemical Engineering Group (Matubayasi Lab)."
Key terms
- Solvation
- The phenomenon in which a dissolved molecule interacts with the surrounding solvent molecules. This lab reframes the partitioning of substances from this perspective.
- Molecular simulation
- A method of studying the motion of molecules by computing it on a computer.
- Ionic liquid
- A mixed solvent of cations (positive ions) and anions (negative ions). It is said to come in countless varieties depending on the combination.
- Micelle
- An aggregate formed by the self-assembly of amphiphilic molecules such as surfactants.
NewsLab news
A master's student won the Best Poster Award at the 7th International Conference on Molecular Simulation
A postdoctoral researcher's paper was published in ACS Phys. Chem. Au
A paper from a collaboration with researchers at the University of York in the UK was published in Langmuir
A review co-authored with researchers at Kyoto University and the Institute for Molecular Science was published in Chem. Phys. Rev.
A paper from the lab was published in Commun. Chem., with a press release
ResearchResearch themes
Targeting soft molecular assemblies that combine order and fluctuation, such as solutions, micelles, and lipid membranes, the lab aims to elucidate the principles by which diverse functions emerge and to establish guidelines for designing the function of the assembly as a whole. Its analyses use statistical mechanical theory of solutions and molecular simulation.
*Illustrative imageAnalyzing partitioning across systems through solvation
The lab treats what is originally present in a molecular assembly as the solvent and what enters later as the solute, and reframes the partitioning of substances as solvation. By developing and extending new techniques in statistical mechanical theory of solutions and molecular simulation, it analyzes a broad range of processes in a unified way, from dissolution in solutions and polymers to binding to lipid membranes, micelles, and proteins, and even electron attachment.
*Illustrative imageGas absorption and electrical conduction in ionic liquids
Ionic liquids are mixed solvents of cations and anions, and are attracting attention as gas absorption media and battery electrolytes. Building on knowledge of intermolecular interactions, the lab develops screening methods using solution theory and molecular simulation.
*Illustrative imageSoftness of micelle and lipid membrane interfaces
Micelles and lipid membranes are not cleanly separated from the surrounding water: water penetrates them, and hydrophobic and hydrophilic parts intermingle and fluctuate. The lab analyzes how this softness of the interface affects the partitioning of substances, using solution theory and large-scale molecular simulation.
*Illustrative imageControlling structure through solvation energy modulation
The structures of functional molecules such as proteins fluctuate while exchanging free energy with the solvent. Focusing on the fact that solvation energy can be modulated by relatively inexpensive operations such as adding a cosolvent, the lab explores guidelines for structural control.
MembersFaculty
The Molecular Assembly Chemical Engineering Lab consists of faculty members, postdoctoral researchers, administrative assistants, and doctoral, master's, and undergraduate students.As of 2026
- ProfessorNobuyuki Matubayasi
- Project Associate ProfessorTakuma Yagasaki
- Project Associate ProfessorYutaka Maruyama
- Assistant ProfessorKento Kasahara
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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: “Satellite tobacco mosaic virus rendering produced by VMD and Tachyon” John E. Stone / CC BY-SA 4.0 (cropped)
- Analyzing partitioning across systems through solvation: “Molecular docking” Diego Mariano / CC BY-SA 4.0 (cropped)
- Gas absorption and electrical conduction in ionic liquids: “Ionic Liquid ( )” National Institute of Standards and Technology / Public domain (cropped)
- Softness of micelle and lipid membrane interfaces: “FSL Micelle” Xiphiaz / CC BY-SA 3.0 (cropped)
- Controlling structure through solvation energy modulation: “C17orf58 protein (UPF0450) structure with AlphaFold” Luyu9927 / CC BY 4.0 (cropped)
- Related lab (Molecular Assembly Chemistry Lab): “CSIRO ScienceImage 11684 Scanning electron microscope image of the seed inside the MOF crystals” Dr Paolo Falcaro and Dr Dario Buso, CSIRO / CC BY 3.0 (cropped)
- Related lab (Nano Reaction Engineering Lab): “Liquid Crystal Art-1” Ingo Dierking / CC BY-SA 4.0 (cropped)
- Related lab (Biofunctional Chemistry Lab): “Sugar crystals lie” Star61 / CC BY-SA 4.0 (cropped)
- Related lab (Correlated Molecular Functions Lab): “Lodestone (Magnet Cove Complex, mid-Cretaceous, 96-102 Ma; Magnet Cove, Arkansas, USA) 4” James St. John / CC BY 2.0 (cropped)
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