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比利时vs摩洛哥足彩 ,
university of california san diego

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special colloquium

gideon simpson

university of minnesota

numerical analysis of parallel replica dynamics

abstract:

parallel replica dynamics was proposed by a.f. voter as a tool for accelerating molecular dynamics simulations characterized by a sequence of infrequent, but rapid, transitions from one state to another. an example would be the migration of a defect through a crystal. parallel replica dynamics accelerates this by simulating many replicas simultaneously, concatenating the simulation times of the realizations as though it were a single long trajectory. this motivates important questions: is parallel replica dynamics algorithm doing what we hope? for what systems will it be useful? how do we implement it efficiently? in this talk, i will thoroughly describe the algorithm and report on progress towards rigorous justification. open questions and related problems will also be discussed.

host: michael holst

january 18, 2013

9:00 am

ap&m 5402

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