Robert D. Skeel

According to our database, Robert D. Skeel authored at least 30 papers between 1977 and 2020.

Collaborative distances:

• Dijkstra number of three.
• Erdős number of four.

2020

On the famous unpublished preprint "Methods of integration which preserve the contact transformation property of the Hamilton equations" by René De Vogelaere.

Robert D. Skeel, Jan L. Cieslinski

CoRR, 2020

2017

Comparing Markov Chain Samplers for Molecular Simulation.

Robert D. Skeel, Youhan Fang

Entropy, 2017

2016

Scholar: A Campus HPC Resource to Enable Computational Literacy.

Michael E. Baldwin, Xiao Zhu, Preston M. Smith, Stephen Lien Harrell, Robert D. Skeel, Amiya Kumar Maji

Proceedings of the 2016 Workshop on Education for High-Performance Computing, 2016

2014

Bayesian Sampling Using Stochastic Gradient Thermostats.

Nan Ding, Youhan Fang, Ryan Babbush, Changyou Chen, Robert D. Skeel, Hartmut Neven

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?

Robert D. Skeel

SIAM J. Sci. Comput., 2009

2007

Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations.

Robert D. Skeel, David J. Hardy, James C. Phillips

J. Comput. Phys., 2007

2005

Scalable molecular dynamics with NAMD.

James C. Phillips, Rosemary Braun, Wei Wang, James C. Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant V. Kalé, Klaus Schulten

J. Comput. Chem., 2005

2004

Robust Variance Reduction for Random Walk Methods.

Gang Zou, Robert D. Skeel

SIAM J. Sci. Comput., 2004

2003

Verlet-I/R-RESPA/Impulse is Limited by Nonlinear Instabilities.

Qun Ma, Jesús A. Izaguirre, Robert D. Skeel

SIAM J. Sci. Comput., 2003

Nonlinear Instability in Multiple Time Stepping Molecular Dynamics.

Qun Ma, Jesús A. Izaguirre, Robert D. Skeel

Proceedings of the 2003 ACM Symposium on Applied Computing (SAC), 2003

2002

Multiple grid methods for classical molecular dynamics.

Robert D. Skeel, Ismail Tezcan, David J. Hardy

J. Comput. Chem., 2002

2001

Practical Construction of Modified Hamiltonians.

Robert D. Skeel, David J. Hardy

SIAM J. Sci. Comput., 2001

2000

Nonlinear Stability Analysis of Area-Preserving Integrators.

Robert D. Skeel, K. Srinivas

SIAM J. Numer. Anal., 2000

1999

The Five Femtosecond Time Step Barrier.

Robert D. Skeel, Jesús A. Izaguirre

Proceedings of the Computational Molecular Dynamics: Challenges, Methods, Ideas, 1999

Avoiding Algorithmic Obfuscation in a Message-Driven Parallel MD Code.

James C. Phillips, Robert Brunner, Aritomo Shinozaki, Milind A. Bhandarkar, Neal Krawetz, Attila Gürsoy, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten

Proceedings of the Computational Molecular Dynamics: Challenges, Methods, Ideas, 1999

1998

Long-Time-Step Methods for Oscillatory Differential Equations.

Bosco García-Archilla, Jesús María Sanz-Serna, Robert D. Skeel

SIAM J. Sci. Comput., 1998

1997

A Family of Symplectic Integrators: Stability, Accuracy, and Molecular Dynamics Applications.

Robert D. Skeel, Guihua Zhang, Tamar Schlick

SIAM J. Sci. Comput., 1997

Explicit Symplectic Integrators Using Hessian-Vector Products.

Miguel Ángel López-Marcos, Jesús María Sanz-Serna, Robert D. Skeel

SIAM J. Sci. Comput., 1997

1996

NAMD: a Parallel, Object-Oriented Molecular Dynamics Program.

Mark T. Nelson, William Humphrey, Attila Gürsoy, Andrew Dalke, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten

Int. J. High Perform. Comput. Appl., 1996

1995

Numerical Hamiltonian Problems (J. M. Sanz-Serna and M. P. Calvo).

Robert D. Skeel

SIAM Rev., 1995

Symplectic Integrators and the Conservation of Angular Momentum.

Mei-Qing Zhang, Robert D. Skeel

J. Comput. Chem., 1995

Algorithms for Constrained Molecular Dynamics.

Eric Barth, Krzysztof Kuczera, Benedict J. Leimkuhler, Robert D. Skeel

J. Comput. Chem., 1995

1994

Canonical Numerical Methods for Molecular Dynamics Simulations.

Daniel I. Okunbor, Robert D. Skeel

J. Comput. Chem., 1994

1992

Limits of parallelism in explicit ODE methods.

Robert D. Skeel, Hon-Wah Tam

Numer. Algorithms, 1992

1990

A Method for the Spatial Discretization of Parabolic Equations in One Space Variable.

Robert D. Skeel, Martin Berzins

SIAM J. Sci. Comput., 1990

1989

Global error estimation and the backward differentiation formulas.

Robert D. Skeel

Proceedings of the Conference on Numerical Ordinary Differential Equations, USA, 1989, 1989

1987

The development of ODE methods: a symbiosis between hardware and numerical analysis.

C. William Gear, Robert D. Skeel

Proceedings of the ACM Conference on History of Scientific and Numeric Computation, 1987

1986

Note on blended linear multistep formulas.

Robert D. Skeel, Thu V. Vu

ACM Trans. Math. Softw., 1986

1979

Scaling for Numerical Stability in Gaussian Elimination.

Robert D. Skeel

J. ACM, 1979

1977

Blended Linear Multistep Methods.

Robert D. Skeel, Antony K. Kong

ACM Trans. Math. Softw., 1977