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SUMMARY:Nested Sampling for bulk materials - Gabor Csanyi\, University of 
 Cambridge
DTSTART:20150218T141500Z
DTEND:20150218T151500Z
UID:TALK57128@talks.cam.ac.uk
CONTACT:Lucy Colwell
DESCRIPTION:Nested Sampling was introduced about a decade ago to overcome 
 inefficiencies in existing global sampling algorithms. I will show the res
 ults to date in its application to atomistic and molecular systems: cluste
 rs\, biomolecules and condensed phases. Recently we extended the methodolo
 gy and are now able to calculate pressure-temperature phase diagrams of ma
 terials essentially automatically\, without any preexisting knowledge of t
 he solid phases. Comparisons will be made to parallel tempering (replica e
 xchange simulations)\, and I will discuss the types of questions within th
 e field of molecular simulation for which using Nested Sampling seems to b
 e advantageous. 
LOCATION:Department of Chemistry\, Cambridge\, Pfizer lecture theatre
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