2012 CMTS Summer Workshop
As part of the initiative to prepare future generations of scientists to take advantage of new computer modeling methodology, the CMTS hosted a hands-on workshop on multiscale theory and simulation, from June 11-13, 2012. Forty graduate students and post-doctoral scholars from all over the United States, attended this workshop. Novel concepts in multiscale theory and simulation were introduced during lecture sessions and students we able to test these computational tools individually during tutorial session.
Coarse-grained modeling is becoming an increasingly important tool for theoretical chemists. In this hands-on workshop, meant for advanced graduate students and postdoctoral scholars in molecular simulation, we describe how to implement systematic approaches for developing coarse-grained representations from more detailed ones that are based on first principles.
The goal of the workshop is to explore physical models and computational approaches used for the simulation of biological systems and the investigation of their function from the atomic to the cellular scale. The course covers Coarse-graining, Multiscale Rare Event Sampling, Markov State Models, Implicit Solvent Models and Electron density fitting. Relevant physical concepts, mathematical techniques and computational methods used in molecular dynamics simulations were introduced.
For information on the 2013 Workshop on Multiscale Theory and Simulation, from June 17-19, 2013, click here.
Download the CMTS Workshop Flyer
Download the CMTS Workshop Itinerary
To download lecture slides from the CMTS workshop, click here:
Gregory A. Voth's presentation slides are available here
To watch Prof. Voth's lecture, 'The Theory of Coarse Graining', click on the player below:
Aaron Dinner's presentation slides are available here
Benoit Roux's presentation slides, Part I are available here and Part II are available here
Karl Freed's presentation slides are available here
Nina Hinrich's presenation slides are available here
Esmael Haddadian's presentation slides are available here
Martin McCullagh's presentation slides are available here
For more lectures from the 2012 Workshop on Multiscale Theory and Simulation, please click here.
For further information, please contact: NSF-CCI-workshop@uchicago.edu