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Multi-scale algorithms for simple fluids

Presented by: 
Anthony Maggs
Tuesday 18th July 2017 - 15:00 to 15:40
INI Seminar Room 1
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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University of Cambridge Research Councils UK
    Clay Mathematics Institute London Mathematical Society NM Rothschild and Sons