Multi-scale algorithms for simple fluids

Duration: 39 mins 41 secs
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Description: Maggs, A
Tuesday 18th July 2017 - 15:00 to 15:40
 
Created: 2017-07-19 12:46
Collection: Scalable inference; statistical, algorithmic, computational aspects
Publisher: Isaac Newton Institute
Copyright: Maggs, A
Language: eng (English)
Distribution: World     (downloadable)
Explicit content: No
Aspect Ratio: 16:9
Screencast: No
Bumper: UCS Default
Trailer: UCS Default
 
Abstract: We consider multi-scale algorithms for the simulation of dense simple fluids based on both Monte Carlo sampling and molecular dynamics algorithms. We pay particular attention to the imposition of detailed balance and show that a proper choice of hierarchical sampling almost completely eliminates hydrodynamic slowing down. We also link to recent algorithms for accelerating the simulation of hydrodynamic interactions in polymeric systems and present ideas on how to attack,more efficiently, long-ranged electrostatic interactions.
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