Robert D. Skeel

According to our database1, Robert D. Skeel authored at least 27 papers between 1977 and 2020.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

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PhD thesis 
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Links

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Bibliography

2020
On the famous unpublished preprint "Methods of integration which preserve the contact transformation property of the Hamilton equations" by René De Vogelaere.
CoRR, 2020

2017
Comparing Markov Chain Samplers for Molecular Simulation.
Entropy, 2017

2014
Bayesian Sampling Using Stochastic Gradient Thermostats.
Proceedings of the Advances in Neural Information Processing Systems 27: Annual Conference on Neural Information Processing Systems 2014, 2014

2009
What Makes Molecular Dynamics Work?
SIAM J. Sci. Comput., 2009

2007
Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations.
J. Comput. Phys., 2007

2005
Scalable molecular dynamics with NAMD.
J. Comput. Chem., 2005

2004
Robust Variance Reduction for Random Walk Methods.
SIAM J. Sci. Comput., 2004

2003
Verlet-I/R-RESPA/Impulse is Limited by Nonlinear Instabilities.
SIAM J. Sci. Comput., 2003

Nonlinear Instability in Multiple Time Stepping Molecular Dynamics.
Proceedings of the 2003 ACM Symposium on Applied Computing (SAC), 2003

2002
Multiple grid methods for classical molecular dynamics.
J. Comput. Chem., 2002

2001
Practical Construction of Modified Hamiltonians.
SIAM J. Sci. Comput., 2001

2000
Nonlinear Stability Analysis of Area-Preserving Integrators.
SIAM J. Numer. Anal., 2000

1999
The Five Femtosecond Time Step Barrier.
Proceedings of the Computational Molecular Dynamics: Challenges, Methods, Ideas, 1999

Avoiding Algorithmic Obfuscation in a Message-Driven Parallel MD Code.
Proceedings of the Computational Molecular Dynamics: Challenges, Methods, Ideas, 1999

1998
Long-Time-Step Methods for Oscillatory Differential Equations.
SIAM J. Sci. Comput., 1998

1997
A Family of Symplectic Integrators: Stability, Accuracy, and Molecular Dynamics Applications.
SIAM J. Sci. Comput., 1997

Explicit Symplectic Integrators Using Hessian-Vector Products.
SIAM J. Sci. Comput., 1997

1996
NAMD: a Parallel, Object-Oriented Molecular Dynamics Program.
Int. J. High Perform. Comput. Appl., 1996

1995
Numerical Hamiltonian Problems (J. M. Sanz-Serna and M. P. Calvo).
SIAM Rev., 1995

Symplectic Integrators and the Conservation of Angular Momentum.
J. Comput. Chem., 1995

Algorithms for Constrained Molecular Dynamics.
J. Comput. Chem., 1995

1994
Canonical Numerical Methods for Molecular Dynamics Simulations.
J. Comput. Chem., 1994

1992
Limits of parallelism in explicit ODE methods.
Numer. Algorithms, 1992

1990
A Method for the Spatial Discretization of Parabolic Equations in One Space Variable.
SIAM J. Sci. Comput., 1990

1986
Note on blended linear multistep formulas.
ACM Trans. Math. Softw., 1986

1979
Scaling for Numerical Stability in Gaussian Elimination.
J. ACM, 1979

1977
Blended Linear Multistep Methods.
ACM Trans. Math. Softw., 1977


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