Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[1D6-35] Accelerating the molecular dynamics simulation of forming smectic A phase by controlling intermolecular forces

Oral A

○SASAKI, Ryoma; HAYASHI, Yoshihiro; KAWAUCHI, Susumu (Sch. Mater. & Chem. Tech., Tokyo Tech.)

PC Setting Time : 14:30 - 14:40

Keywords:liquid crystal、all-atom molecular dynamics、intermolecular force、phase transition