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Robert D. Skeel
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2020 – today
- 2020
- [i1]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On the famous unpublished preprint "Methods of integration which preserve the contact transformation property of the Hamilton equations" by René De Vogelaere.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 abs/2003.12268 (2020)
2010 – 2019
- 2017
- [j22]Robert D. Skeel
, Youhan Fang:
Comparing Markov Chain Samplers for Molecular Simulation. Entropy 19(10): 561 (2017) - 2016
- [c5]Michael E. Baldwin, Xiao Zhu
Scholar: A Campus HPC Resource to Enable Computational Literacy. EduHPC@SC 2016: 25-31 - 2014
- [c4]Nan Ding, Youhan Fang, Ryan Babbush, Changyou Chen, Robert D. Skeel, Hartmut Neven:
Bayesian Sampling Using Stochastic Gradient Thermostats. NIPS 2014: 3203-3211
2000 – 2009
- 2009
- [j21]Robert D. Skeel:
What Makes Molecular Dynamics Work? SIAM J. Sci. Comput. 31(2): 1363-1378 (2009) - 2007
- [j20]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): 1-5 (2007) - 2005
- [j19]James C. Phillips
Scalable molecular dynamics with NAMD. J. Comput. Chem. 26(16): 1781-1802 (2005) - 2004
- [j18]Gang Zou, Robert D. Skeel:
Robust Variance Reduction for Random Walk Methods. SIAM J. Sci. Comput. 25(6): 1964-1981 (2004) - 2003
- [j17]Qun Ma, Jesús A. Izaguirre, Robert D. Skeel:
Verlet-I/R-RESPA/Impulse is Limited by Nonlinear Instabilities. SIAM J. Sci. Comput. 24(6): 1951-1973 (2003) - [c3]Qun Ma, Jesús A. Izaguirre, Robert D. Skeel:
Nonlinear Instability in Multiple Time Stepping Molecular Dynamics. SAC 2003: 167-171 - 2002
- [j16]Robert D. Skeel, Ismail Tezcan, David J. Hardy:
Multiple grid methods for classical molecular dynamics. J. Comput. Chem. 23(6): 673-684 (2002) - 2001
- [j15]Robert D. Skeel, David J. Hardy:
Practical Construction of Modified Hamiltonians. SIAM J. Sci. Comput. 23(4): 1172-1188 (2001) - 2000
- [j14]Robert D. Skeel, K. Srinivas:
Nonlinear Stability Analysis of Area-Preserving Integrators. SIAM J. Numer. Anal. 38(1): 129-148 (2000)
1990 – 1999
- 1999
- [p2]Robert D. Skeel, Jesús A. Izaguirre:
The Five Femtosecond Time Step Barrier. Computational Molecular Dynamics 1999: 318-331 - [p1]James C. Phillips, Robert Brunner, Aritomo Shinozaki, Milind A. Bhandarkar, Neal Krawetz, Attila Gürsoy, Laxmikant V. Kalé, Robert D. Skeel, Klaus Schulten:
Avoiding Algorithmic Obfuscation in a Message-Driven Parallel MD Code. Computational Molecular Dynamics 1999: 472-482 - [e1]Peter Deuflhard, Jan Hermans, Benedict J. Leimkuhler, Alan E. Mark, Sebastian Reich, Robert D. Skeel:
Computational Molecular Dynamics: Challenges, Methods, Ideas. Lecture Notes in Computational Science and Engineering 4, Springer 1999, ISBN 978-3-540-63242-9 - 1998
- [j13]Bosco García-Archilla, Jesús María Sanz-Serna, Robert D. Skeel:
Long-Time-Step Methods for Oscillatory Differential Equations. SIAM J. Sci. Comput. 20(3): 930-963 (1998) - 1997
- [j12]Robert D. Skeel, Guihua Zhang, Tamar Schlick
A Family of Symplectic Integrators: Stability, Accuracy, and Molecular Dynamics Applications. SIAM J. Sci. Comput. 18(1): 203-222 (1997) - [j11]Miguel Ángel López-Marcos, Jesús María Sanz-Serna, Robert D. Skeel:
Explicit Symplectic Integrators Using Hessian-Vector Products. SIAM J. Sci. Comput. 18(1): 223-238 (1997) - 1996
- [j10]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): 251-268 (1996) - 1995
- [j9]Mei-Qing Zhang, Robert D. Skeel:
Symplectic Integrators and the Conservation of Angular Momentum. J. Comput. Chem. 16(3): 365-369 (1995) - [j8]Eric Barth, Krzysztof Kuczera, Benedict J. Leimkuhler, Robert D. Skeel:
Algorithms for Constrained Molecular Dynamics. J. Comput. Chem. 16(10): 1192-1209 (1995) - [j7]Robert D. Skeel:
Numerical Hamiltonian Problems (J. M. Sanz-Serna and M. P. Calvo). SIAM Rev. 37(2): 277-279 (1995) - 1994
- [j6]Daniel I. Okunbor, Robert D. Skeel:
Canonical Numerical Methods for Molecular Dynamics Simulations. J. Comput. Chem. 15(1): 72-79 (1994) - 1992
- [j5]Robert D. Skeel, Hon-Wah Tam:
Limits of parallelism in explicit ODE methods. Numer. Algorithms 2(3): 337-349 (1992) - 1990
- [j4]Robert D. Skeel, Martin Berzins:
A Method for the Spatial Discretization of Parabolic Equations in One Space Variable. SIAM J. Sci. Comput. 11(1): 1-32 (1990)
1980 – 1989
- 1989
- [c2]Robert D. Skeel:
Global error estimation and the backward differentiation formulas. Conference on Numerical Ordinary Differential Equations 1989: 197-208 - 1987
- [c1]C. William Gear, Robert D. Skeel:
The development of ODE methods: a symbiosis between hardware and numerical analysis. HSNC 1987: 105-115 - 1986
- [j3]Robert D. Skeel, Thu V. Vu:
Note on blended linear multistep formulas. ACM Trans. Math. Softw. 12(3): 223-224 (1986)
1970 – 1979
- 1979
- [j2]Robert D. Skeel:
Scaling for Numerical Stability in Gaussian Elimination. J. ACM 26(3): 494-526 (1979) - 1977
- [j1]Robert D. Skeel, Antony K. Kong:
Blended Linear Multistep Methods. ACM Trans. Math. Softw. 3(4): 326-345 (1977)
Coauthor Index
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