2 papers
cond-mat.soft2025
Composition-agnostic prediction of self-assembly in multicomponent amphiphile mixtures from molecular structure
Yuuki Ishiwatari, Takahiro Yokoyama, Tomoya Kojima +2
Predicting self-assembly in multi-component amphiphilic systems is challenging due to the complexity of intercomponent interactions and the combinatorial growth of possible formula…
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…