Takuya Mabuchi

Name of university
Tohoku University
Frontier Research Institute for Interdisciplinary Sciences
Assistant Professor
Materials and Energy

Research Fields

Research Keywords

Molecular simulations
Ion transport
Self-assembly of proteins/polymers

Research Subject

Theoretical design of high-performance polymer electrolyte membranes for efficient hydrogen production
Understanding and development of selective artificial transmembrane channels for protons
Protein/Polymer phase behavior in aqueous solutions: aggregation, self-assembly, and liquid–liquid phase separation

Research Outline

The research involves theoretical and computer simulation studies of biomolecular and materials systems. Current research activities span both development of new computational methods and theoretical characterization of proton/hydroxide transport and protein/polymer phase behavior in biomolecular and polymer materials systems at multiple length scales. For example, to probe complex transport phenomena of protons and hydroxides, a reactive model has been developed within the simplicity of the theoretical framework of classical molecular dynamics (MD) simulations. Proton and hydroxide transport through complex structure such as transmembrane ion channels and polymer electrolyte membranes are one of our research interests. Protein and polymer phase behavior (i.e, aggregation, self-assembly, and liquid–liquid phase separation) in aqueous solutions are also of our research interest. Computational studies can assist in the challenge of designing the artificial ion channels and polymer materials. Our research is thus often carried out in close collaboration with leading experimentalists and is integrated in a feedback loop with experiments.

Multiscale modeling and simulations in biomolecular and materials systems.