DPOLY Short Course
Multiscale Computational Approaches for Simulating Polymers from Atomistic to Mesoscale
Includes Saturday & Sunday
• Students/Post-Docs: $100
• APS Members: $150
• Non-Members: $250
• Register when you register for the meeting
• Pre-registration required
Saturday, March 1
1:00 p.m. - 5:30 p.m.
Sunday, March 2
9:00 a.m. - 5:00 p.m.
All who are interested in using computer simulations to probe polymers including faculty, industrial scientists, postdoctoral fellows and graduate students will benefit from this course.
The course will present recent advances in simulating polymers capturing the multiple length and time scales that determine their properties. The challenges that arise from the nature of polymers, followed by introduction of computational techniques including Monte Carlo and molecular dynamics simulations carried out on multiple length scales from atomistic simulations to coarse grained models as well as density functional theory methods will be discussed. Coarse graining encapsulating simple bead-spring methods to new approaches which capture the interactions on the atomistic scale and transpose them to a larger length scale will be presented. The basic concepts will be followed by presentations of numerical simulations packages and new computer architectures for practical advice for setting up and running simulations.
Gary S. Grest, Sandia National Laboratories
Dvora Perahia, Clemson University