Robert D. Skeel

31 papers Misc 1Journal 23Unranked 4

Year	Rank	Type	Title / Venue / Authors
2020	J	`jnl`	On the famous unpublished preprint "Methods of integration which preserve the contact transformation property of the Hamilton equations" by René De Vogelaere. CoRR Robert D. Skeel, Jan L. Cieslinski
2017	J	`jnl`	Comparing Markov Chain Samplers for Molecular Simulation. Entropy Robert D. Skeel, Youhan Fang
2016	—	`conf`	Scholar: A Campus HPC Resource to Enable Computational Literacy. EduHPC@SC Michael E. Baldwin, Xiao Zhu, Preston M. Smith, Stephen Lien Harrell, Robert D. Skeel, Amiya Kumar Maji
2014	—	`conf`	Bayesian Sampling Using Stochastic Gradient Thermostats. NIPS Nan Ding, Youhan Fang, Ryan Babbush, Changyou Chen, Robert D. Skeel, Hartmut Neven
2009	J	`jnl`	What Makes Molecular Dynamics Work? SIAM J. Sci. Comput. Robert D. Skeel
2007	J	`jnl`	Correcting mesh-based force calculations to conserve both energy and momentum in molecular dynamics simulations. J. Comput. Phys. Robert D. Skeel, David J. Hardy, James C. Phillips
2005	J	`jnl`	Scalable molecular dynamics with NAMD. J. Comput. Chem. James C. Phillips, Rosemary Braun, Wei Wang, James C. Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant V. Kalé, Klaus Schulten
2004	J	`jnl`	Robust Variance Reduction for Random Walk Methods. SIAM J. Sci. Comput. Gang Zou, Robert D. Skeel
2003	Misc	`conf`	Nonlinear Instability in Multiple Time Stepping Molecular Dynamics. SAC Qun Ma, Jesús A. Izaguirre, Robert D. Skeel
2003	J	`jnl`	Verlet-I/R-RESPA/Impulse is Limited by Nonlinear Instabilities. SIAM J. Sci. Comput. Qun Ma, Jesús A. Izaguirre, Robert D. Skeel
2002	J	`jnl`	Multiple grid methods for classical molecular dynamics. J. Comput. Chem. Robert D. Skeel, Ismail Tezcan, David J. Hardy
2001	J	`jnl`	Practical Construction of Modified Hamiltonians. SIAM J. Sci. Comput. Robert D. Skeel, David J. Hardy
2000	J	`jnl`	Nonlinear Stability Analysis of Area-Preserving Integrators. SIAM J. Numer. Anal. Robert D. Skeel, K. Srinivas
1999	—	`ch.`	Avoiding Algorithmic Obfuscation in a Message-Driven Parallel MD Code. Computational Molecular Dynamics James C. Phillips, Robert Brunner, Aritomo Shinozaki, Milind A. Bhandarkar, Neal Krawetz, Attila Gürsoy, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten
1999	—	`book`	Computational Molecular Dynamics: Challenges, Methods, Ideas Computational Molecular Dynamics Peter Deuflhard, Jan Hermans, Benedict J. Leimkuhler, Alan E. Mark, Sebastian Reich, Robert D. Skeel
1999	—	`ch.`	The Five Femtosecond Time Step Barrier. Computational Molecular Dynamics Robert D. Skeel, Jesús A. Izaguirre
1998	J	`jnl`	Long-Time-Step Methods for Oscillatory Differential Equations. SIAM J. Sci. Comput. Bosco García-Archilla, Jesús María Sanz-Serna, Robert D. Skeel
1997	J	`jnl`	A Family of Symplectic Integrators: Stability, Accuracy, and Molecular Dynamics Applications. SIAM J. Sci. Comput. Robert D. Skeel, Guihua Zhang, Tamar Schlick
1997	J	`jnl`	Explicit Symplectic Integrators Using Hessian-Vector Products. SIAM J. Sci. Comput. Miguel Ángel López-Marcos, Jesús María Sanz-Serna, Robert D. Skeel
1996	J	`jnl`	NAMD: a Parallel, Object-Oriented Molecular Dynamics Program. Int. J. High Perform. Comput. Appl. Mark T. Nelson, William Humphrey, Attila Gürsoy, Andrew Dalke, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten
1995	J	`jnl`	Algorithms for Constrained Molecular Dynamics. J. Comput. Chem. Eric Barth, Krzysztof Kuczera, Benedict J. Leimkuhler, Robert D. Skeel
1995	J	`jnl`	Numerical Hamiltonian Problems (J. M. Sanz-Serna and M. P. Calvo). SIAM Rev. Robert D. Skeel
1995	J	`jnl`	Symplectic Integrators and the Conservation of Angular Momentum. J. Comput. Chem. Mei-Qing Zhang, Robert D. Skeel
1994	J	`jnl`	Canonical Numerical Methods for Molecular Dynamics Simulations. J. Comput. Chem. Daniel I. Okunbor, Robert D. Skeel
1992	J	`jnl`	Limits of parallelism in explicit ODE methods. Numer. Algorithms Robert D. Skeel, Hon-Wah Tam
1990	J	`jnl`	A Method for the Spatial Discretization of Parabolic Equations in One Space Variable. SIAM J. Sci. Comput. Robert D. Skeel, Martin Berzins
1989	—	`conf`	Global error estimation and the backward differentiation formulas. Conference on Numerical Ordinary Differential Equations Robert D. Skeel
1987	—	`conf`	The development of ODE methods: a symbiosis between hardware and numerical analysis. HSNC C. William Gear, Robert D. Skeel
1986	J	`jnl`	Note on blended linear multistep formulas. ACM Trans. Math. Softw. Robert D. Skeel, Thu V. Vu
1979	J	`jnl`	Scaling for Numerical Stability in Gaussian Elimination. J. ACM Robert D. Skeel
1977	J	`jnl`	Blended Linear Multistep Methods. ACM Trans. Math. Softw. Robert D. Skeel, Antony K. Kong