Workshop in the MIDST of Simulating soft matter with dissipative particle dynamics
Sabanci University, Istanbul, Turkey
Friday, November 11, 2022
The workshop will be consisting of two sections: A morning theory session and an afternoon practice session. In the theory session, we will briefly present the theory of molecular dynamics simulations in general while giving a particular attention to the coarse-grained simulations. Later, we will extensively discuss dissipative particle dynamics (DPD) simulation method. Moreover, the properties regarding the characterization of soft matter structure as a result of the DPD simulations will be introduced and explained. In the practice session, examples on phase-separation, self-assembly of polymeric micelles, and in order to demonstrate the use of DPD for the industrially-relevant applications, cross-linking of a particular polymeric material will be simulated. Thereafter, how to run these systems on a TRUBA HPC cluster will be briefly presented as well. For the DPD simulations and analyses, LAMMPS simulation code and VMD software will be used. At the end of the workshop, the participants are expected to gain sufficient knowledge and hands-on experience on performing molecular simulations at a coarse-grained level. Further instructions will be posted (or shared via email) prior to the workshop.