| Year |
Citation |
Score |
| 2017 |
Skeel RD, Zhao R, Post CB. A minimization principle for transition paths of maximum flux for collective variables. Theoretical Chemistry Accounts. 136. PMID 29225509 DOI: 10.1007/S00214-016-2041-3 |
0.339 |
|
| 2017 |
Skeel R, Fang Y. Comparing Markov Chain Samplers for Molecular Simulation Entropy. 19: 561. DOI: 10.3390/E19100561 |
0.396 |
|
| 2016 |
Hardy DJ, Wolff MA, Xia J, Schulten K, Skeel RD. Multilevel summation with B-spline interpolation for pairwise interactions in molecular dynamics simulations. The Journal of Chemical Physics. 144: 114112. PMID 27004867 DOI: 10.1063/1.4943868 |
0.434 |
|
| 2016 |
Skeel RD. An alternative construction of the Ewald sum Molecular Physics. 114: 3166-3170. DOI: 10.1080/00268976.2016.1222455 |
0.359 |
|
| 2015 |
Hardy DJ, Wu Z, Phillips JC, Stone JE, Skeel RD, Schulten K. Multilevel Summation Method for Electrostatic Force Evaluation. Journal of Chemical Theory and Computation. 11: 766-779. PMID 25691833 DOI: 10.1021/Ct5009075 |
0.371 |
|
| 2014 |
Fang Y, Sanz-Serna JM, Skeel RD. Compressible generalized hybrid Monte Carlo. The Journal of Chemical Physics. 140: 174108. PMID 24811626 DOI: 10.1063/1.4874000 |
0.41 |
|
| 2011 |
Skeel RD, Reich S. Corrected potential energy functions for constrained molecular dynamics European Physical Journal: Special Topics. 200: 55-72. DOI: 10.1140/Epjst/E2011-01518-8 |
0.404 |
|
| 2010 |
Zhao R, Shen J, Skeel RD. Maximum Flux Transition Paths of Conformational Change. Journal of Chemical Theory and Computation. 6: 2411-2423. PMID 20890401 DOI: 10.1021/Ct900689M |
0.342 |
|
| 2009 |
Hairer E, McLachlan RI, Skeel RD. ON ENERGY CONSERVATION OF THE SIMPLIFIED TAKAHASHI-IMADA METHOD. Esaim. Mathematical Modelling and Numerical Analysis = Esaim. Modelisation Mathematique Et Analyse Numerique : M=2an. 43: 631-644. PMID 20539750 DOI: 10.1051/M2An/2009019 |
0.404 |
|
| 2009 |
Skeel RD. WHAT MAKES MOLECULAR DYNAMICS WORK? Siam Journal On Scientific Computing : a Publication of the Society For Industrial and Applied Mathematics. 31: 1363-1378. PMID 20084278 DOI: 10.1137/070683660 |
0.415 |
|
| 2009 |
Sweet CR, Hampton SS, Skeel RD, Izaguirre JA. A separable shadow Hamiltonian hybrid Monte Carlo method. The Journal of Chemical Physics. 131: 174106. PMID 19894997 DOI: 10.1063/1.3253687 |
0.426 |
|
| 2007 |
Skeel RD, Hardy DJ, Phillips JC. Correcting Mesh-Based Force Calculations to Conserve Both Energy and Momentum in Molecular Dynamics Simulations. Journal of Computational Physics. 225: 1-5. PMID 18591998 DOI: 10.1016/J.Jcp.2007.03.010 |
0.367 |
|
| 2005 |
Wang W, Skeel RD. Fast evaluation of polarizable forces. The Journal of Chemical Physics. 123: 164107. PMID 16268681 DOI: 10.1063/1.2056544 |
0.401 |
|
| 2005 |
Phillips JC, Braun R, Wang W, Gumbart J, Tajkhorshid E, Villa E, Chipot C, Skeel RD, Kalé L, Schulten K. Scalable molecular dynamics with NAMD. Journal of Computational Chemistry. 26: 1781-802. PMID 16222654 DOI: 10.1002/Jcc.20289 |
0.382 |
|
| 2005 |
Engle RD, Skeel RD, Drees M. Monitoring energy drift with shadow Hamiltonians Journal of Computational Physics. 206: 432-452. DOI: 10.1016/J.Jcp.2004.12.009 |
0.404 |
|
| 2004 |
Zou G, Skeel RD. Robust variance reduction for random walk methods Siam Journal On Scientific Computing. 25: 1964-1981. DOI: 10.1137/S1064827503424025 |
0.563 |
|
| 2003 |
Zou G, Skeel RD. Robust biased Brownian dynamics for rate constant calculation. Biophysical Journal. 85: 2147-57. PMID 14507681 DOI: 10.1016/S0006-3495(03)74641-4 |
0.542 |
|
| 2003 |
Ma Q, Izaguirre JA, Skeel RD. Verlet-I/r-RESPA/Impulse is limited by nonlinear instabilities Siam Journal On Scientific Computing. 24: 1951-1973. DOI: 10.1137/S1064827501399833 |
0.367 |
|
| 2003 |
Wang W, Skeel RD. Analysis of a few numerical integration methods for the Langevin equation Molecular Physics. 101: 2149-2156. DOI: 10.1080/0026897031000135825 |
0.38 |
|
| 2002 |
Skeel RD, Tezcan I, Hardy DJ. Multiple grid methods for classical molecular dynamics. Journal of Computational Chemistry. 23: 673-84. PMID 11939600 DOI: 10.1002/Jcc.10072 |
0.413 |
|
| 2002 |
Skeel RD, Hardy DJ. Practical construction of modified Hamiltonians Siam Journal On Scientific Computing. 23: 1172-1188. DOI: 10.1137/S106482750138318X |
0.392 |
|
| 2002 |
Skeel RD, Izaguirre JA. An impulse integrator for Langevin dynamics Molecular Physics. 100: 3885-3891. DOI: 10.1080/0026897021000018321 |
0.395 |
|
| 2001 |
Skeel RD, Srinivas K. Nonlinear stability analysis of area-preserving integrators Siam Journal On Numerical Analysis. 38: 129-148. DOI: 10.1137/S0036142998349527 |
0.315 |
|
| 2001 |
Lzaguirre JA, Catarello DP, Wozniak JM, Skeel RD. Langevin stabilization of molecular dynamics Journal of Chemical Physics. 114: 2090-2098. DOI: 10.1063/1.1332996 |
0.374 |
|
| 2000 |
Zou G, Skeel RD, Subramaniam S. Biased Brownian dynamics for rate constant calculation. Biophysical Journal. 79: 638-45. PMID 10919998 DOI: 10.1016/S0006-3495(00)76322-3 |
0.514 |
|
| 1999 |
Izaguirre JA, Reich S, Skeel RD. Longer time steps for molecular dynamics Journal of Chemical Physics. 110: 9853-9864. DOI: 10.1063/1.478995 |
0.325 |
|
| 1999 |
Skeel RD. Symplectic integration with floating-point arithmetic and other approximations Applied Numerical Mathematics. 29: 3-18. DOI: 10.1016/S0168-9274(98)00033-6 |
0.377 |
|
| 1999 |
Hardy DJ, Okunbor DI, Skeel RD. Symplectic variable step size integration for N-body problems Applied Numerical Mathematics. 29: 19-30. DOI: 10.1016/S0168-9274(98)00031-2 |
0.376 |
|
| 1999 |
Kalé L, Skeel R, Bhandarkar M, Brunner R, Gursoy A, Krawetz N, Phillips J, Shinozaki A, Varadarajan K, Schulten K. NAMD2: Greater Scalability for Parallel Molecular Dynamics Journal of Computational Physics. 151: 283-312. DOI: 10.1006/Jcph.1999.6201 |
0.342 |
|
| 1999 |
Schlick T, Skeel RD, Brunger AT, Kalé LV, Board JA, Hermans J, Schulten K. Algorithmic Challenges in Computational Molecular Biophysics Journal of Computational Physics. 151: 9-48. DOI: 10.1006/Jcph.1998.6182 |
0.323 |
|
| 1998 |
Garcia-Archilla B, Sanz-Serna JM, Skeel RD. Long-time-step methods for oscillatory differential equations Siam Journal On Scientific Computing. 20: 930-963. DOI: 10.1137/S1064827596313851 |
0.399 |
|
| 1998 |
Schlick T, Mandziuk M, Skeel RD, Srinivas K. Nonlinear Resonance Artifacts in Molecular Dynamics Simulations Journal of Computational Physics. 140: 1-29. DOI: 10.1006/Jcph.1998.5879 |
0.381 |
|
| 1997 |
López-Marcos MA, Sanz-Serna JM, Skeel RD. Explicit symplectic integrators using Hessian-vector products Siam Journal On Scientific Computing. 18: 223-238. DOI: 10.1137/S1064827595288085 |
0.413 |
|
| 1997 |
Skeel RD, Zhang G, Schlick T. A family of symplectic integrators: Stability, accuracy, and molecular dynamics applications Siam Journal On Scientific Computing. 18: 203-222. DOI: 10.1137/S1064827595282350 |
0.413 |
|
| 1997 |
Littell TR, Skeel RD, Zhang M. Error analysis of symplectic multiple time stepping Siam Journal On Numerical Analysis. 34: 1792-1807. DOI: 10.1137/S0036142995287094 |
0.436 |
|
| 1997 |
Zhang M, Skeel RD. Cheap implicit symplectic integrators Applied Numerical Mathematics. 25: 297-302. DOI: 10.1016/S0168-9274(97)00066-4 |
0.384 |
|
| 1997 |
Bishop TC, Skeel RD, Schulten K. Difficulties with multiple time stepping and fast multipole algorithm in molecular dynamics Journal of Computational Chemistry. 18: 1785-1791. DOI: 10.1002/(Sici)1096-987X(19971115)18:14<1785::Aid-Jcc7>3.0.Co;2-G |
0.36 |
|
| 1995 |
Barth E, Kuczera K, Leimkuhler B, Skeel RD. Algorithms for constrained molecular dynamics Journal of Computational Chemistry. 16: 1192-1209. DOI: 10.1002/Jcc.540161003 |
0.433 |
|
| 1995 |
Zhang M, Skeel RD. Symplectic integrators and the conservation of angular momentum Journal of Computational Chemistry. 16: 365-369. DOI: 10.1002/Jcc.540160309 |
0.349 |
|
| 1994 |
Okunbor DI, Skeel RD. Canonical Runge-Kutta-Nyström methods of orders five and six Journal of Computational and Applied Mathematics. 51: 375-382. DOI: 10.1016/0377-0427(92)00119-T |
0.347 |
|
| 1994 |
Okunbor DI, Skeel RD. Canonical numerical methods for molecular dynamics simulations Journal of Computational Chemistry. 15: 72-79. DOI: 10.1002/Jcc.540150109 |
0.441 |
|
| 1993 |
Tam H, Skeel RD. Stability of Parallel Explicit ODE Methods Siam Journal On Numerical Analysis. 30: 1179-1192. DOI: 10.1137/0730061 |
0.356 |
|
| 1993 |
Skeel RD. Variable step size destabilizes the Störmer/leapfrog/verlet method Bit. 33: 172-175. DOI: 10.1007/Bf01990352 |
0.328 |
|
| 1993 |
Biesiadecki JJ, Skeel RD. Dangers of Multiple Time Step Methods Journal of Computational Physics. 109: 318-328. DOI: 10.1006/Jcph.1993.1220 |
0.447 |
|
| 1992 |
Okunbor D, Skeel RD. An Explicit Runge–Kutta–Nyström Method is Canonical If and Only If Its Adjoint is Explicit Siam Journal On Numerical Analysis. 29: 521-527. DOI: 10.1137/0729032 |
0.409 |
|
| 1992 |
Okunbor D, Skeel RD. Explicit canonical methods for hamiltonian systems Mathematics of Computation. 59: 439-455. DOI: 10.1090/S0025-5718-1992-1136225-3 |
0.361 |
|
| 1992 |
Guo R, Skeel RD. An algebraic hierarchical basis preconditioner Applied Numerical Mathematics. 9: 21-32. DOI: 10.1016/0168-9274(92)90064-K |
0.343 |
|
| 1992 |
Skeel RD, Gear CW. Does variable step size ruin a symplectic integrator? Physica D: Nonlinear Phenomena. 60: 311-313. DOI: 10.1016/0167-2789(92)90247-K |
0.337 |
|
| 1992 |
Skeel RD, Tam HW. Limits of parallelism in explicit ODE methods Numerical Algorithms. 2: 337-349. DOI: 10.1007/Bf02139473 |
0.41 |
|
| 1991 |
Skeel RD. Macromolecular dynamics on a shared-memory multiprocessor Journal of Computational Chemistry. 12: 175-179. DOI: 10.1002/Jcc.540120206 |
0.362 |
|
| 1990 |
Skeel RD, Berzins M. A Method for the Spatial Discretization of Parabolic Equations in One Space Variable Siam Journal On Scientific and Statistical Computing. 11: 1-32. DOI: 10.1137/0911001 |
0.372 |
|
| 1989 |
Skeel RD. Waveform Iteration and the Shifted Picard Splitting Siam Journal On Scientific and Statistical Computing. 10: 756-776. DOI: 10.1137/0910046 |
0.416 |
|
| 1989 |
Skeel RD. The second-order backward differentiation formula is unconditionally zero-stable Applied Numerical Mathematics. 5: 145-149. DOI: 10.1016/0168-9274(89)90030-5 |
0.393 |
|
| 1986 |
Skeel RD. Construction of variable-stepsize multistep formulas Mathematics of Computation. 47: 503-510. DOI: 10.2307/2008169 |
0.33 |
|
| 1986 |
Skeel RD, Vu TV. Note on Blended Linear Multistep Formulas Acm Transactions On Mathematical Software (Toms). 12: 223-224. DOI: 10.1145/7921.7925 |
0.324 |
|
| 1986 |
Skeel RD. The Order of Accuracy for Deferred Corrections Using Uncentered End Formulas Siam Journal On Numerical Analysis. 23: 393-402. DOI: 10.1137/0723026 |
0.375 |
|
| 1986 |
Skeel RD. Thirteen ways to estimate global error Numerische Mathematik. 48: 1-20. DOI: 10.1007/Bf01389440 |
0.319 |
|
| 1982 |
Skeel RD. A Theoretical Framework for Proving Accuracy Results for Deferred Corrections Siam Journal On Numerical Analysis. 19: 171-196. DOI: 10.1137/0719009 |
0.346 |
|
| 1981 |
Skeel RD. Accuracy of point cyclic reductions for poisson's equation Journal of Computational Physics. 44: 198-205. DOI: 10.1016/0021-9991(81)90045-0 |
0.348 |
|
| 1980 |
Skeel RD. Iterative refinement implies numerical stability for gaussian elimination Mathematics of Computation. 35: 817-832. DOI: 10.1090/S0025-5718-1980-0572859-4 |
0.336 |
|
| 1979 |
Skeel RD. Scaling for Numerical Stability in Gaussian Elimination Journal of the Acm (Jacm). 26: 494-526. DOI: 10.1145/322139.322148 |
0.312 |
|
| 1979 |
Skeel RD. Equivalent forms of multistep formulas Mathematics of Computation. 33: 1229-1250. DOI: 10.1090/S0025-5718-1979-0537967-4 |
0.315 |
|
| 1977 |
Skeel RD, Kong AK. Blended Linear Multistep Methods Acm Transactions On Mathematical Software (Toms). 3: 326-345. DOI: 10.1145/355759.355762 |
0.37 |
|
| 1977 |
Skeel RD, Jackson LW. Consistency of Nordsieck Methods Siam Journal On Numerical Analysis. 14: 910-924. DOI: 10.1137/0714061 |
0.32 |
|
| 1976 |
Skeel R. Analysis of Fixed-Stepsize Methods Siam Journal On Numerical Analysis. 13: 664-685. DOI: 10.1137/0713055 |
0.371 |
|
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