[Colloquium] Theory Seminars at Computer Science

[Donna Brooms]

*REMINDER*
 
Wednesday, April 23, 2014
2:30 p.m.
Ryerson 251
 
Dr Gábor Csányi
Computational Mechanics
University of Cambridge
https://camtools.cam.ac.uk
 
Title: "The frontiers of molecular simulation algorithms"
 
Abstract: The talk will showcase the possibilities opened up by applying modern computer science ideas to modeling the physical world on the molecular scale. Machine learning is used to provide surrogate models to speed up the solution of PDEs, sometimes by many orders of magnitude, and also to analyse the results of stochastic exploration of moderately high dimensional spaces. In another setting, careful control of probability distributions in a particle filter style framework can dramatically cut down the human effort involved in determining the pressure-temperature phase diagrams of materials, enabling true "in silico" high throughput materials-by-design research programmes in the future.
 
Refreshments will be served after the talk at 3:30 in Ry. 255
Host: Prof. L. Ridgway Scott
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