DIALOGUES in the MIDST
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.
Please click here to access the recordings of the training.
Prerequisite: Knowledge of basic command line (Windows, MacOS or Linux) concepts
Attendance is free
Limited to 40 people on a first-come-first-served basis
Lunch and coffee will be served
This event was supported by the EuroCC project. This project has received funding from the European High-Performance Computing Joint Undertaking (JU) under grant agreement No 951732. The JU receives support from the European Union’s Horizon 2020 research and innovation programme and Germany, Bulgaria, Austria, Croatia, Cyprus, the Czech Republic, Denmark, Estonia, Finland, Greece, Hungary, Ireland, Italy, Lithuania, Latvia, Poland, Portugal, Romania, Slovenia, Spain, Sweden, the United Kingdom, France, the Netherlands, Belgium, Luxembourg, Slovakia, Norway, Switzerland, Turkey, Republic of North Macedonia, Iceland, Montenegro.
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