Robert D. Skeel

Publication Activity (10 Years)

Years Active: 1977-2020
Publications (10 Years): 2

Top Topics

Markov Chain Monte Carlo

Random Sampling

State Transition

Posterior Probability

Top Venues

Publications

Robert D. Skeel, Jan L. Cieslinski
On the famous unpublished preprint "Methods of integration which preserve the contact transformation property of the Hamilton equations" by René De Vogelaere. CoRR (2020)
Robert D. Skeel, Youhan Fang
Comparing Markov Chain Samplers for Molecular Simulation. Entropy 19 (10) (2017)
Nan Ding, Youhan Fang, Ryan Babbush, Changyou Chen, Robert D. Skeel, Hartmut Neven
Bayesian Sampling Using Stochastic Gradient Thermostats. NIPS (2014)
Robert D. Skeel
What Makes Molecular Dynamics Work? SIAM J. Sci. Comput. 31 (2) (2009)
Robert D. Skeel, David J. Hardy, James C. Phillips
Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations. J. Comput. Phys. 225 (1) (2007)
James C. Phillips, Rosemary Braun, Wei Wang, James C. Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant V. Kalé, Klaus Schulten
Scalable molecular dynamics with NAMD. J. Comput. Chem. 26 (16) (2005)
Gang Zou, Robert D. Skeel
Robust Variance Reduction for Random Walk Methods. SIAM J. Sci. Comput. 25 (6) (2004)
Qun Ma, Jesús A. Izaguirre, Robert D. Skeel
Nonlinear Instability in Multiple Time Stepping Molecular Dynamics. SAC (2003)
Qun Ma, Jesús A. Izaguirre, Robert D. Skeel
Verlet-I/R-RESPA/Impulse is Limited by Nonlinear Instabilities. SIAM J. Sci. Comput. 24 (6) (2003)
Robert D. Skeel, Ismail Tezcan, David J. Hardy
Multiple grid methods for classical molecular dynamics. J. Comput. Chem. 23 (6) (2002)
Robert D. Skeel, David J. Hardy
Practical Construction of Modified Hamiltonians. SIAM J. Sci. Comput. 23 (4) (2001)
Robert D. Skeel, K. Srinivas
Nonlinear Stability Analysis of Area-Preserving Integrators. SIAM J. Numer. Anal. 38 (1) (2000)
Bosco García-Archilla, Jesús María Sanz-Serna, Robert D. Skeel
Long-Time-Step Methods for Oscillatory Differential Equations. SIAM J. Sci. Comput. 20 (3) (1998)
Robert D. Skeel, Guihua Zhang, Tamar Schlick
A Family of Symplectic Integrators: Stability, Accuracy, and Molecular Dynamics Applications. SIAM J. Sci. Comput. 18 (1) (1997)
M. A. López-Marcos, Jesús María Sanz-Serna, Robert D. Skeel
Explicit Symplectic Integrators Using Hessian-Vector Products. SIAM J. Sci. Comput. 18 (1) (1997)
Mark T. Nelson, William Humphrey, Attila Gürsoy, Andrew Dalke, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten
NAMD: a Parallel, Object-Oriented Molecular Dynamics Program. Int. J. High Perform. Comput. Appl. 10 (4) (1996)
Robert D. Skeel
Numerical Hamiltonian Problems (J. M. Sanz-Serna and M. P. Calvo). SIAM Rev. 37 (2) (1995)
Mei-Qing Zhang, Robert D. Skeel
Symplectic Integrators and the Conservation of Angular Momentum. J. Comput. Chem. 16 (3) (1995)
Eric Barth, Krzysztof Kuczera, Benedict J. Leimkuhler, Robert D. Skeel
Algorithms for Constrained Molecular Dynamics. J. Comput. Chem. 16 (10) (1995)
Daniel I. Okunbor, Robert D. Skeel
Canonical Numerical Methods for Molecular Dynamics Simulations. J. Comput. Chem. 15 (1) (1994)
Robert D. Skeel, Hon-Wah Tam
Limits of parallelism in explicit ODE methods. Numer. Algorithms 2 (3) (1992)
Robert D. Skeel, Martin Berzins
A Method for the Spatial Discretization of Parabolic Equations in One Space Variable. SIAM J. Sci. Comput. 11 (1) (1990)
Robert D. Skeel
Global error estimation and the backward differentiation formulas. Conference on Numerical Ordinary Differential Equations (1989)
C. William Gear, Robert D. Skeel
The development of ODE methods: a symbiosis between hardware and numerical analysis. HSNC (1987)
Robert D. Skeel, Thu V. Vu
Note on blended linear multistep formulas. ACM Trans. Math. Softw. 12 (3) (1986)
Robert D. Skeel
Scaling for Numerical Stability in Gaussian Elimination. J. ACM 26 (3) (1979)
Robert D. Skeel, Antony K. Kong
Blended Linear Multistep Methods. ACM Trans. Math. Softw. 3 (4) (1977)