Generalization of Nosé’s isothermal molecular dynamics: Non-Hamiltonian dynamics for the canonical ensemble
- 1 September 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 40 (5) , 2814-2815
- https://doi.org/10.1103/physreva.40.2814
Abstract
There are many potentially useful generalizations of Nosé’s mechanics that are both deterministic and time reversible despite the lack of an underlying Hamiltonian. These generalizations are particularly useful in simulating systems far from equilibrium.Keywords
This publication has 9 references indexed in Scilit:
- Irreversibility in the Galton board via conservative classical and quantum hamiltonian and gaussian dynamicsPhysics Letters A, 1988
- Generalization of Nosé’s isothermal molecular dynamicsPhysical Review A, 1988
- Lyapunov instability of dense Lennard-Jones fluidsPhysical Review A, 1988
- Dynamics for nonconservative systems: ergodicity beyond the microcanonical ensembleThe Journal of Physical Chemistry, 1988
- Reversible mechanics and time’s arrowPhysical Review A, 1988
- Resolution of Loschmidt’s paradox: The origin of irreversible behavior in reversible atomistic dynamicsPhysical Review Letters, 1987
- Canonical dynamics: Equilibrium phase-space distributionsPhysical Review A, 1985
- A unified formulation of the constant temperature molecular dynamics methodsThe Journal of Chemical Physics, 1984
- Nonequilibrium molecular dynamics via Gauss's principle of least constraintPhysical Review A, 1983