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Multi-scale algorithms for simple fluids

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  • UserAnthony Maggs (City of Paris Industrial Physics and Chemistry Higher Educational Institution, (ESPCI))
  • ClockTuesday 18 July 2017, 15:00-15:40
  • HouseSeminar Room 1, Newton Institute.

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SIN - Scalable inference; statistical, algorithmic, computational aspects

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.

This talk is part of the Isaac Newton Institute Seminar Series series.

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