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Wednesday, September 26 • 11:55am - 12:05pm
PolyRun - Polymer Microstructure Exploration HPC Gateway

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This paper describes design and development of a gateway enabling polymer scientists with limited HPC background to model the equilibrium microstructures of polymer melts. These microstructures are critical to the physical properties of polymers and are of great interest in tailoring polymers to meet application challenges. The gateway utilizes a Qt application running in a HubZero framework to allow users to configure, submit, track, and visualize polymer structure simulations. In particular the gateway provides an interface to perform multidimensional parameter sweeps of different configurations to construct phase diagrams which are of high interest to the polymer community. The gateway enables seasoned and non-hpc users to easily perform complex computations and utilize simulations as an aid in designing experiments towards desired materials.


Wednesday September 26, 2018 11:55am - 12:05pm CDT
Lil Tex Auditorium, Commons Conference Center 10100 Burnet Road, Bldg 137, Austin, TX 78758

Attendees (5)