S. D. Bond, B. J. Leimkuhler, and B. B. Laird. The Nose--Poincare method for constant temperature molecular dynamics. J. Comput. Phys, 151(1):114--134, 1999. Home/Search Document Not in Database Summary Related Articles Check |
This paper is cited in the following contexts:
A Test Set for Molecular Dynamics Algorithms - Barth, Leimkuhler, Reich (2002) Self-citation (Leimkuhler) (Correct)
.... in the design of efficient algorithms for problems such as fast summation methods for computing non bonded atomic interactions [1,2] long time numerical integration of equations of motion[3 5] non Newtonian dynamical formulations for simulation in a variety of statistical mechanical ensembles [6 8], and optimization. These projects have often involved mathematicians and or computer scientists who, though adept at algorithm and software development, may possess limited or no physical and chemical knowledge. An important step in the development of a computational method is testing on model ....
....of mass. The artificial scaling of the kinetic term impedes sampling, particularly the recovery of time correlated averages; various reformulations of the Nos e dynamical formulation have been proposed which correct the timescale and facilitate the use of time reversible [6] or lately symplectic [8] discretization. One of the problems with using low dimensional model problems is the lack of ergodicity that such systems tend to exhibit. Any of the model problems given here could be treated using Langevin dynamics or a Nos e thermostat. Moreover, it is possible to augment a thermostatted ....
S.D. Bond, B.J. Leimkuhler and B.B. Laird, The Nose-Poincare method for constant temperature molecular dynamics, J. Comp. Phys. 151 (1999), pp. 114--134
Improved Sampling of Configuration Space of Biomolecules Using.. - Hampton (2004) (Correct)
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S. D. Bond, B. J. Leimkuhler, and B. B. Laird. The Nose--Poincare method for constant temperature molecular dynamics. J. Comput. Phys, 151(1):114--134, 1999.
Shadow Hybrid Monte Carlo: An Efficient Propagator in Phase .. - Izaguirre, Hampton (2004) (Correct)
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S. D. Bond, B. J. Leimkuhler, B. B. Laird, The Nose--Poincare method for constant temperature molecular dynamics, J. Comput. Phys 151 (1) (1999) 114--134.
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