A thermostat algorithm generating target ensembles
arXiv:1510.03942 · doi:10.1103/PhysRevE.93.022139
Abstract
We present a deterministic algorithm called contact density dynamics that generates any prescribed target distribution in the physical phase space. Akin to the famous model of Nosé-Hoover, our algorithm is based on a non-Hamiltonian system in an extended phase space. However the equations of motion in our case follow from contact geometry and we show that in general they have a similar form to those of the so-called density dynamics algorithm. As a prototypical example, we apply our algorithm to produce Gibbs canonical distribution for a one-dimensional harmonic oscillator.
6 pages, improved version, numerical results added
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- Invariant measures for contact Hamiltonian systems: symplectic sandwiches with contact bread
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- Geometric integrator for simulations in the canonical ensemble
- Exact Baker-Campbell-Hausdorff formula for the contact Heisenberg algebra
- Application of Herglotz's Variational Principle to Electromagnetic Systems with Dissipation
- Stochastic sampling of the isothermal-isobaric ensemble: phase diagram of crystalline solids from molecular dynamics simulation
- Generalized virial theorem for contact Hamiltonian systems
- Contact geometry and quantum thermodynamics of nanoscale steady states
- Invariant measures for some dissipative systems from the Jacobi last multiplier
- New directions for contact integrators
- Geometric numerical integration of Liénard systems via a contact Hamiltonian approach