Student Posters Repository

It is well known that rod-like or disk-shaped molecules may create various liquid-crystal phases, which are observed between those of liquid and solid, under certain thermo-physical conditions. Many studies have been conducted to reveal the relationship between the molecular interactions and the macroscopic structures, however, predicting the self-assembled structure of molecules is still difficult especially in the nucleation stage. In this study, we investigated the effects of molecular interactions on the self-assembly in nucleation process using a large-scale computer simulation. The system consists of 256,000 target molecules and 426,667 carrier molecule. For efficient computation, the Framework for developing particle simulator (FDPS) was used. We will present new findings for the cluster formation of liquid crystals, and necessity of high performance computing.