3 papers
cond-mat.soft2024
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…
cond-mat.mtrl-sci2023
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…
cond-mat.soft2023
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…