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Day 1 - July, 27th 2009

Registration and Introduction

• 09:30 to 10:00 - Registration
• 10:00 to 10:10 - Welcome

Thermostats I

• 10:10 to 11:00 - Michael Allen
  
  Thermostats in soft matter simulation
• 11:00 to 11:20 - Coffee Break
• 11:20 to 12:10 - Karl Travis
  
  Configurational and kinetic thermostats for use in equilibrium and non-equilibrium atomistic simulations
• 12:10 to 14:00 - Lunch Break

Geometric perspectives

• 14:00 to 14:50 - John H. Maddocks
  
  The impetus-striction formulation of constrained dynamics
• 14:50 to 15:40 - Bulent Karasozen
  
  Numerical methods for Hamiltonian odes and pdes with Poisson and Nambu structure
• 15:40 to 16:00 - Coffee Break
• 16:00 to 16:50 - Anthony Bloch
  
  Nonholonomic Mechanics and Dissipation

Dinner

Day 2 - July, 28th 2009

Thermostats II

• 09:00 to 09:50 - Stephen Bond
  
  Practical methods for correcting algorithmic bias in deterministic constant temperature molecular dynamics
• 09:50 to 10:40 - Brian Laird
  
  MD simulation of mixed continous/ discontinuous potentials, with and without thermostats
• 10:40 to 11:10 - Coffee Break
• 11:10 to 12:00 - Alessandro Sergi
  
  Nose-Hoover Dynamics in Quantum Phase Space
• 12:00 to 14:00 - Lunch Break

Thermostats III

• 14:00 to 14:50 - Gregory Ezra
  
  Measure-preserving integrators for thermostatted systems
• 14:50 to 15:40 - Frédéric Legoll
  
  Some recent results on non-ergodicity of Nose-Hoover dynamics
• 15:40 to 16:00 - Coffee Break
• 16:00 to 16:50 - Carsten Hartmann
  
  Sampling the Boltzmann distribution on a surface
• 16:50 to 17:40 - Carl Dettmann
  
  Configurational thermostats

Dinner

Day 3 - July, 29th 2009

Thermostats IV

• 09:00 to 09:50 - Julius Jellinek
  
  Revisiting Nose's Extended System Approach
• 09:50 to 10:40 - Giovanni Bussi
  
  Stochastic thermostats in classical and ab initio molecular dynamics
• 10:40 to 11:10 - Coffee Break
• 11:10 to 12:00 - Ben Leimkuhler
  
  Flexible thermostats and finite baths
• 12:00 to 12:10 - Closing word