Molecular Dynamics, Thermostats and Convergence to Equilibrium

Organised by Ben Leimkuhler and Carl Dettmann, to take place at ICMS, Edinburgh

The purpose of this meeting is to bring together groups from mathematics and physics to try to gain a better understanding of the question of how molecular systems (and molecular models) reach equilibrium, schemes for accelerating or manipulating this process of both deterministic and stochastic type, and numerical techniques for computational treatment of these schemes. Of particular interest are techniques to analyse or quantify the convergence to equilibrium in molecular simulations.

Contact: The organisers plus Andrea Dobson (not ICMS as this is not one of their regular workshops).

Contents: Participants Programme Funding

Participants (updated Oct 8)

Li Baowen (Singapore), Evelyn Buckwar (Heriot-Watt), Guilio Casati (Como), Christophe Dellago (Vienna), Carl Dettmann (Bristol), Gregory Ezra (Cornell), Martin Hairer (Warwick), Desmond Higham (Strathclyde), Teil Howard (Bristol), Rainer Klages (London), Tony Lelievre (ENPC), Gabriel Lord (Heriot-Watt), Greg Pavliotis (Imperial), Oliver Penrose (Heriot-Watt), Alex Samoletov (Donetsk), Roman Schobert (Bristol), Florian Theil (Warwick), Michael Tretyakov (Leicester), Eric vanden Eijnden (New York), Angelo Vulpiani (Rome), Stephen Wiggins (Bristol)

Venue

About the ICMS: The International Centre for the Mathematical Sciences supports research in the mathematical sciences. Its core activity is the development and organisation of international workshops and conferences in all areas of mathematics and these attract leading mathematical scientists from the UK and overseas. ICMS is funded by the EPSRC, the Scottish Funding Council, and the Universities of Edinburgh and Heriot Watt. The headquarters of ICMS is currently 14 India Street, the house in Edinburgh's New Town where James Clerk Maxwell was born. The India Street location holds about 35 people. More info is available at http://www.icms.org.uk/ Please note that this particular workshop is not being conducted as part of the ICMS workshop programme but is an auxiliary workshop and will be organised instead by the School of Mathematics. Since we are not paying for their assistance, it is important that we not disturb ICMS staff with queries regarding this workshop (rather, contact Andrea Dobson andrea.dobson@ed.ac.uk)

Website

http://www.maths.bris.ac.uk/~macpd/edinburgh/

Programme

Wednesday Nov 12, 2008

1200 Lunch

Friday Nov 14, 2008

1700 Finish

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