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Programme Poster 2010
Fundamental Aspects of Deterministic Thermostats
July 27, 2009 to July 29, 2009
Location : CECAM-HQ-EPFL, Lausanne, Switzerland
Details
Participants
Program
Abstracts
Files
Report
Measure-preserving integrators for thermostatted systems
Gregory Ezra
Thermostats in soft matter simulation
Michael Allen
Configurational and kinetic thermostats for use in equilibrium and non-equilibrium atomistic simulations
Karl Travis
Practical methods for correcting algorithmic bias in deterministic constant temperature molecular dynamics
Stephen Bond
The impetus-striction formulation of constrained dynamics
John H. Maddocks
Numerical methods for Hamiltonian odes and pdes with Poisson and Nambu structure
Bulent Karasozen
Nonholonomic Mechanics and Dissipation
Anthony Bloch
MD simulation of mixed continous/ discontinuous potentials, with and without thermostats
Brian Laird
Some recent results on non-ergodicity of Nose-Hoover dynamics
Frédéric Legoll
Nose-Hoover Dynamics in Quantum Phase Space
Alessandro Sergi
Configurational thermostats
Carl Dettmann
Stochastic thermostats in classical and ab initio molecular dynamics
Giovanni Bussi
Sampling the Boltzmann distribution on a surface
Carsten Hartmann
Flexible thermostats and finite baths
Ben Leimkuhler
Revisiting Nose's Extended System Approach
Julius Jellinek
CECAM - Centre Européen de Calcul Atomique et Moléculaire
Station 13, Bat. PPH, 1015 Lausanne, Switzerland
