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Smoothed Dynamics of Highly Oscillatory Hamiltonian Systems (1995)  (Make Corrections)  (15 citations)
Sebastian Reich



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Abstract: We consider the numerical treatment of Hamiltonian systems that contain a potential which grows large when the system deviates from the equilibrium value of the potential. Such systems arise, e.g., in molecular dynamics simulations and the spatial discretization of Hamiltonian partial differential equations. Since the presence of highly oscillatory terms in the solutions forces any explicit integrator to use very small step-size, the numerical integration of such systems provides a challenging... (Update)

Context of citations to this paper:   More

...for a physical alternative: we may construct v by using additional physical insight in the dynamics, e.g. in form of additional postulates. [9] and [10] may be taken as examples for this approach. In [9] a result from statistical mechanics (equipartition of energy for ergodic...

...then the step size Deltat has to satisfy Deltat ffl which leads to extremely long simulation times. In various previous publications [8], 10] 15] it has been assumed that U ffl is a convex function with the minima condition rU ffl (q=ffl) 0 defining a m dimensional...

Cited by:   More
Homogenization in Time of Singularly Perturbed Conservative.. - Bornemann (1998)   (Correct)
Smoothed Langevin dynamics of highly oscillatory systems - Reich (1996)   (Correct)
A Free Energy Approach to the Torsion Dynamics of Macromolecules - Reich (1995)   (Correct)

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1.3:   Torsion Dynamics of Molecular Systems - Reich (1996)   (Correct)
0.6:   Integration Methods for Molecular Dynamics - Leimkuhler, Reich, Skeel (1994)   (Correct)
0.5:   Numerical Solution of Nonlinear Oscillatory Multibody.. - Jeng Yen, Linda R.. (1996)   (Correct)

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0.1:   Symplectic Integrators for Systems of Rigid Bodies - Reich (1996)   (Correct)
0.1:   Modified Potential Energy Functions for Constrained Molecular.. - Reich (1997)   (Correct)
0.1:   On higher-order semi-explicit symplectic partitioned Runge-Kutta.. - Reich (1997)   (Correct)

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BibTeX entry:   (Update)

S. Reich. Smoothed dynamics of highly oscillatory Hamiltonian systems. Physica D, 89:28--42, 1995. http://citeseer.ist.psu.edu/article/reich95smoothed.html   More

@misc{ reich95smoothed,
  author = "S. Reich",
  title = "Smoothed dynamics of highly oscillatory Hamiltonian systems",
  text = "S. Reich. Smoothed dynamics of highly oscillatory Hamiltonian systems.
    Physica D, 89:28--42, 1995.",
  year = "1995",
  url = "citeseer.ist.psu.edu/article/reich95smoothed.html" }
Citations (may not include all citations):
1526   Ten lectures on wavelets (context) - Daubechies - 1992
306   Computer simulations of liquids (context) - Allen, Tildesley - 1987
113   An introduction to mechanics and symmetry (context) - Marsden, Ratiu - 1994
111   An introduction to differentiable manifolds and Riemannian g.. (context) - Boothby - 1986
77   Numerical Hamiltonian Problems (context) - Sanz-Serna, Calvo - 1994
73   Geometric singular perturbation theory for ordinary differen.. (context) - Fenichel - 1979
58   Averaging methods in nonlinear dynamical systems (context) - Sanders, Verhulst - 1985
44   Dynamics of proteins and nucleic acids (context) - McCammon, Harvey - 1987
38   Numerical integration of the Cartesian equations of motion o.. (context) - Ryckaert, Ciccotti et al. - 1977
37   Symplectic integration of constrained Hamiltonian systems by.. - Reich
28   Symplectic numerical integrators in constrained Hamiltonian .. - Leimkuhler, Skeel - 1994
23   Proteins: A theoretical perspective of dynamics (context) - Brooks, Karplus et al. - 1988
22   Motion under a strong constraining force (context) - Rubin, Ungar - 1957
21   Statistical mechanics (context) - Pathria - 1972
13   Momentum conserving symplectic integrators (context) - Reich - 1994
12   Classical statistical mechanics of constraints: A theorem an.. (context) - Fixman - 1974
11   Exact energy-momentum conserving algorithms and symplectic s.. (context) - Simo, Tarnow et al. - 1992
10   Brownian dynamics study of a polymer chain of linked rigid b.. (context) - Pear, Weiner - 1979
9   Computer experiments on classical fluids (context) - Verlet - 1967
8   Elastic molecular dynamics with flexible constraints (context) - Brooks, Zhou et al.
6   Symplectic integrators and the conservation of angular momen.. (context) - Zhang, Skeel
4   Invariant manifolds and the initialization problem for some .. (context) - Kopell - 1985
4   Invariant manifolds of numerical integration schemes applied.. (context) - Nipp, Stoffer - 1992
4   and Lodder (context) - van Kampen - 1984
3   Problems with different time scales for ordinary differentia.. (context) - Kreiss - 1979
3   to appear in IMA Volumes in Mathematics and its Applications (context) - Leimkuhler, Reich et al. - 1995
3   Effects of constraints on the dynamics of macromolecules (context) - van Gunsteren, Karplus - 1982
3   A free energy approach to the torsion dynamics of macromolec.. - Reich - 1995
3   Conformational free energy from thermodynamic integration si.. (context) - Kuczera - 1995



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Documents on the same site (http://www.maths.surrey.ac.uk/personal/st/S.Reich/publications.html):   More
Multi-symplectic spectral discretizations for the.. - Bridges, Reich (2001)   (Correct)
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A Reversible Averaging Integrator for Multiple Time-Scale.. - Leimkuhler, Reich (2001)   (Correct)

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