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Skeel, Robert - Department of Computer Sciences, Purdue University
Towards a Definition of Equilibration for Markov Chains Robert D. Skeel
Difficulties with Multiple Time Stepping and Fast Multipole Algorithm in
CANONICAL RUNGE-KUTTA-NYSTROM METHODS OF ORDERS DANIEL I. OKUNBOR AND ROBERT D. SKEEL
Mathematical Issues in Molecular Dynamics Robert D. Skeel (Purdue University),
Copyright by Robert Daniel Engle, 2003 INTERPOLATED MODIFIED HAMILTONIANS
Research Note Comment on the Accuracy of Numerical Integration Methods for
: ~ APPLIED "~z~" NUMERICAL
Two-Point Boundary Value Problems for Curves: The Case of Minimum Free Energy Paths
Fast evaluation of polarizable forces Beckman Institute, University of Illinois, Urbana, Illinois 61801
MDAPI Specification (draft) Version 0.9
Copyright by SIAM. Unauthorized reproduction of this article is prohibited. SIAM J. SCI. COMPUT. c 2009 Society for Industrial and Applied Mathematics
Bias in Molecular Dynamics Averages due to Finite Step Size Stephen D. Bond and Robert D. Skeel
Accepted Manuscript Correcting Mesh-Based Force Calculations to Conserve Both Energy and Mo
c Robert D. Skeel, 1998 Integration Schemes for Molecular Dynamics
ELSEVIER AppliedNumericalMathematics29 (1999) 3-18 MATHEMATICS
NAMD a Parallel, Object-Oriented Molecular Dynamics Program
Monitoring energy drift with shadow Hamiltonians Robert D. Engle, Robert D. Skeel *, Matthew Drees
