Ergostatting and Thermostatting at a Fixed Point

Abstract

We propose a novel type of ergostats and thermostats for molecular dynamics simulations. A general class of active particle swarm models is considered, where any specific total energy (alternatively any specific temperature) can be provided at a fixed point of the evolution of the swarm. We identify the extended system feedback force of the Nosé - Hoover thermostat with the "internal energy" variable of active Brownian motion.

26 pages, 12 figures, v2: extended Introduction and Outlook, added references

References in corpus (7)

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• Accurate sampling using Langevin dynamics
• Efficient stochastic thermostatting of path integral molecular dynamics
• Stochastic thermostats: comparison of local and global schemes
• Ergodicity of a Singly-Thermostated Harmonic Oscillator
• Canonical active Brownian motion
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