Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[1E2-30] Prediction of thermal conductivity anisotropy of liquid crystals by all-atom molecular dynamics simulations

01.Oral A

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

PC Setting Time : 13:10 - 13:20

Keywords:all-atom molecular dynamics simulation、reverse non-equilibrium molecular dynamics method、thermal conductivity、liquid crystal