4 papers
Investigating the Molecular Design Mechanism Behind the Hydrophobicity of Biological Surface Nanostructures: Insights from Butterfly and Mosquito Systems
Fan Meng, Noriyoshi Arai
Wettability is a fundamental physicochemical property of solid surfaces, with unique wettability patterns playing pivotal roles across diverse domains. Inspired by nature's ingenio…
Machine learning-enabled exploration of mesoscale architectures in amphiphilic-molecule self-assembly
Takeo Sudo, Satoki Ishiai, Yuuki Ishiwatari +3
Amphiphilic molecules spontaneously form self-assembled structures of various shapes depending on their molecular structures, the temperature, and other physical conditions. The fu…
Machine learning prediction of self-assembly and analysis of molecular structure dependence on the critical packing parameter
Yuuki Ishiwatari, Takahiro Yokoyama, Tomoya Kojima +2
Amphiphilic molecules spontaneously form self-assembly structures based on physical conditions such as molecular structure, concentration, and temperature. These structures exhibit…
Structure Formation of Amphiphilic Nanocubes at Rest and Under Shear
Takahiro Yokoyama, Yusei Kobayashi, Noriyoshi Arai +1
We investigate the self-assembly of amphiphilic nanocubes under rest and shear using molecular dynamics (MD) simulations and kinetic Monte Carlo (KMC) calculations. These particles…