Title: Multi-scale simulation of soft materials by using LAMMPS and OCTA/J-OCTA
Presenter: Taku Ozawa
Affiliation: JSOL Corporation
Abstract: Phase separated structure of polymeric material is calculated based on SCFT. Equilibrium molecular configuration for given density profile of atoms by SCFT can be generated, by using Monte Carlo method. These procedure is supplied on software named OCTA and J-OCTA. We developed converter function between OCTA-COGNAC and LAMMPS, and coarse grained molecular dynamics for phase separated structure is conducted by using LAMMPS.