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Yoshida Lab
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A theoretical chemistry lab that explores the behavior of molecules in solution through theory and computation.
AboutAbout the lab
Reproducing chemical phenomena in living organisms inside a computer
The Yoshida Lab conducts theoretical chemistry research that models the molecular world using the laws of physics and reproduces chemical phenomena occurring inside living organisms on a computer.
It focuses in particular on the role that solutions play in phenomena arising in complex assemblies of molecules.
Centered on the statistical mechanics theory of liquids, the lab works on developing methods that combine approaches from quantum chemistry, molecular simulation, and information science.
The lab belongs to the Materials Informatics Division of the Department of Complex Systems Science, Graduate School of Informatics, and carries out its research in collaboration with the Higashi, Matsumoto, and Tsutsumi groups, among others, in the same division.
Key terms
- Statistical mechanics theory of liquids
- A theory that statistically treats the distribution of the many molecules in a liquid to determine the structure and free energy of the solvent.
- Radius of gyration
- A quantity expressing how widely a polymer in solution spreads out. Also called the gyration radius.
- Molecular dynamics simulation
- A calculation that follows the changes in atomic positions over time based on Newton's equations of motion.
NewsLab news
Dr. Kyohei Kawashima joins the lab as Project Assistant Professor
Paper from collaborative research with Osaka University accepted by J. Phys. Chem. B
Paper from collaborative research with the University of Tsukuba accepted by J. Chem. Theory Comput.
A doctoral student wins a poster award at ANSCSE29
Collaborative research with Kyoto University published in PNAS Nexus
ResearchResearch themes
The lab investigates how molecules behave in solution using methods that combine the statistical mechanics theory of liquids with quantum chemistry and molecular simulation. It works on developing computational methods for this purpose and applying them to polymers, biomolecules, and more.
*Illustrative imagePredicting the Radius of Gyration of Polymers in Solution
The lab proposes a theory for predicting the radius of gyration of polymers in solution. Short-range intramolecular correlations are handled with the 3D-RISM-SCF method, and long-range interactions between monomers with polymer RISM theory, so that solvent effects can be evaluated separately as persistence length and excluded volume.
*Illustrative imageEffects of Local Anesthetics on Membranes
The lab uses molecular dynamics simulations to study how the local anesthetics dibucaine, tetracaine, and lidocaine disrupt ordered, raft-like membranes. The results show that uncharged dibucaine tends to remain in the hydrophobic core of the membrane and disrupts the membrane substantially.
MembersFaculty
The members of the Yoshida Lab consist of faculty, postdoctoral researchers, and doctoral, master's, and undergraduate students.As of 2026
- ProfessorNorio Yoshida
- Project Assistant ProfessorKyohei Kawashima
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: “SARS-CoV-2 Nucleocapsid (N) protein render” Imnulls / CC0 (cropped)
- Predicting the Radius of Gyration of Polymers in Solution: “Polymer chain SPT” SPT Paul Topham / CC BY-SA 4.0 (cropped)
- Effects of Local Anesthetics on Membranes: “The surface of highly curved lipid bilayer” Semen Yesylevskyy / CC BY 4.0 (cropped)
- Related lab (Tsutsumi Lab): “Aurora environment 1600x900” Argonne National Laboratory / Public domain (cropped)
- Related lab (Higashi Lab): “Vanillin-3D-molecular-model-engraved-render-CAS-121-33-5” MolGod Scientific / CC BY-SA 4.0 (cropped)
- Related lab (Nagamine Lab): “Satellite image of Czech Republic in September 2003” 作者不詳 / Public domain (cropped)
- Related lab (ALIFE-CORE Lab): “A starling murmuration at Prestwick - geograph.org.uk - 5991171” Walter Baxter / CC BY-SA 2.0 (cropped)
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