| Literature DB >> 16863341 |
Abstract
We present a systematic method for deriving reversible measure-preserving integrators for non-Hamiltonian systems such as the Nosé-Hoover thermostat and generalized Gaussian moment thermostat (GGMT). Our approach exploits the (non-Poisson) bracket structure underlying the thermostat equations of motion. Numerical implementation for the GGMT system shows that our algorithm accurately conserves the thermostat energy function. We also study position and momentum distribution functions obtained using our integrator.Year: 2006 PMID: 16863341 DOI: 10.1063/1.2215608
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488