Publications and Preprints 2000-2007

Publications - 2007

H. S. Abdel-Khalik, P. D. Hovland, A. Lyons, T. E. Stover, and J. Utke, "A Low Rank Approach to Automatic Differentiation," Preprint ANL/MCS-P1467-1207, December 2007.

K. Abhishek, S. Leyffer, and J. T. Linderoth, "Modeling without Categorical Variables: A Mixed-Integer Nonlinear Program for the Optimization of Thermal Insulation Systems," Preprint ANL/MCS-P1434-0607, June 2007.

J. P. Allain, M. Nieto, M. Hendricks, S. S. Harilal, and A. Hassanein, "Debris and Radiation-Induced Damage Effects on EUV Nanolithography Source Collector Mirror Optics Performance," Preprint ANL/MCS-P1406-0407, April 2007.

J. P. Allain, M. Nieto, M. R. Hendricks, P. Plotkin, S. S. Harilal, A. Hassanein, "IMPACT: A Facility for Studying the Interaction of Low-Energy Intense Charged Particle Beams with Dynamic Heterogeneous Surfaces," Preprint ANL/MCS-P1420-0507, May 2007.

J. P. Allain, M. Nieto, M. Hendricks, A. Hassanein, C. Tarrio, S. Grantham, and V. Bakshi, "Energetic and Thermal Sn Interactions and their Effect on EUVL Source Collector Mirror Lifetime at High Temperatures," Preprint ANL/MCS-P1400-0307, March 2007.

M. Anitescu, G. Palmiotti, W.-S.Yang, and M. Neda, "Stochastic Finite-Element Approximation of the Parametric Dependence of Eigenvalue Problem Solution," Preprint ANL/MCS-P1397-0307, March 2007.

Erik G Boman, Doruk Bozdag, Umit V Catalyurek, Karen D Devine, Assefaw H Gebremedhin, Paul D Hovland, Alex Pothen and Michelle Mills Strout, "Enabling high performance computational science through combinatorial algorithms, Journal of Physics: Conference Series, Vol 78

J R Cary, P Spentzouris, J Amundson, L McInnes, M Borland, B Mustapha, B Norris, P Ostroumov, Y Wang, W Fischer, A Fedotov, I Ben-Zvi, R Ryne, E Esarey, C Geddes, J Qiang, E Ng, S Li, C Ng, R Lee, L Merminga, H Wang, D L Bruhwiler, DeDechow, P Mullowney, P Messmer, C Nieter, S Ovtchinnikov, K Paul, P Stoltz, D Wade-Stein, W B Mori, V Decyk, C K Huang, W Lu, M Tzoufras, F Tsung, M Zhou, G R Werner, T Antonsen and T Katsouleas,NL/MCS-P1405-0307, "COMPASS, the community petascale project for accelerator science and simulation, a broad computational accelerator physics initiative," Journal of Physics: Conference Series, Vol 78

I. Charpentier, C. Dal Cappello, and J. Utke, "Efficient Higher-Order Derivatives of the Hypergeometric Function," Preprint ANL/MCS-P1468-1207, December 2007.

D. R. Dechow, B. Norris, J. Amundson, "The Common Component Architecture for Particle Accelerator Simulations," Preprint ANL/MCS-P1449-0807, August 2007.

W. Elwasif, B. Norris, B. Allan, and R. Armstrong, "Bocca: A Development Environment for HPC Components," Preprint ANL/MCS-P1430-0607, June 2007.

P. Fischer, J. Lottes, A. Siegel, and G. Palmiotti, "Large Eddy Simulation of Wire-Wrapped Fuel Pins I: Hydrodynamics of a Single Pin," Preprint ANL/MCS-P1405-0307, March 2007.

R. T. Fisher, L. Kadanoff, D. Q. Lamb, A. Dubey, T. Plewa, A. Calder, F. Cattaneo, P. Constantin, I. Foster, M. E. Papka, S. I. Abarzhi, S. M. Asida, P. M. Rich, C. C. Glendenin, K. Antypas, D. J. Sheeler, L. B. Reid, B. Gallagher and S. G. Needham, "Terascale Turbulence Computation Using the FLASH3 Application Framework on the IBM Blue Gene/L System," IBM Journal of Research and Development, vol. 52, 2007, pp. 127 - 136, Preprint ANL/MCS-fisher, December 2007.

L. Hascoet, J. Utke, and U. Naumann, "Cheaper Adjoints by Reversing Address Computations," Preprint ANL/MCS-P1470-1207, December 2007.

Z. Insepov, "Surface Erosion and Modification by Energetic Ions," Preprint ANL/MCS-P1423-0507, May 2007.

Z. Insepov. T. Bazhirov, G. Norman, and V. Stegailov, "Computer Simulation of Bubble Formation," Preprint ANL/MCS-P1398-0307, March 2007.

Z. Insepov, A. Hassanein, T. T. Bazhirov, G. E. Norman, V. V. Stegailov, "Molecular Dynamics Simulations of Bubble Formation and Cavitation in Liquid Metals, Preprint ANL/MCS-P1402-0307, March 2007.

Z. Insepov, A. Hassanein, J. Norem, and D. R. Swenson, "Advanced Surface Polishing using Gas Cluster Ion Beams," Nuclear Instruments and Methods in Physics, B (to appear). Also Preprint ANL/MCS-P1409-0407, April 2007.

J. Jung and A. Hassanein, "Three-Phase CFD Analytical Modeling of Blood Flow," Preprint ANL/MCS-P1386-0107, January 2007.

M. A. Knepley and D. A. Karpeev, "Mesh Partitioning and Distribution with the Sieve," Preprint ANL/MCS-P1455-0907, September 2007.

I. Konkashbaev, P. Fischer, A. Hassanein, and N. V. Mokhov, "Enhancement of Heat Removal Using Concave Liquid Metal Targets for High-Power Accelerators," Preprint ANL/MCS-P1429-0607, June 2007.

J. W. Larson, "Some Organising Principles for Coupling in Multiphysics and Multiscale Models," Preprint ANL/MCS-P1414-0207, February 2007.

J. W. Larson and B. Norris, "Component Specification for Parallel Coupling Infrastructure," Preprint ANL/MCS-P1412-0407, April 2007.

J. N. Lyness, "Numerical Evaluation of a Fixed-Amplitude Variable-Phase Integral," Preprint ANL/MCS-P1450-0807, June 2007.

J. N. Lyness and S. Joe, "Determination of the Rank of an Integration Lattice," Preprint ANL/MCS-P1404-0307, March 2007.

A. Lyons and J. Utke, "On the Practical Exploitation of Scarsity," Preprint ANL/MCS-P1469-1207, December 2007.

L. C. McInnes, T. Dahlgren, J. Nieplocha, D. Bernholdt, B. Allan, R. Armstrong, D. Chavarria, W. Elwasif, I. Gorton, J. Kenny, M. Krishan, A. Malony, B. Norris, J. Ray, and S. Shende, "Research Initiatives for Plug-and-Play Scientific Computing,"Journal of Physics: Conference Series, Vol 78 Part of SciDAC 2007 conference proceedings. Also Preprint ANL/MCS-P1428-0607, June 2007.

M. Min, Y.-H. Chin, P. F. Fischer, Y.-C. Chae, and K.-J. Kim, "Fourier Spectral Simulations for Wake Fields in Conducting Cavities," Preprint ANL/MCS-P1436-0607, June 2007.

M. Min, P.F. Fischer, and Y.-C. Chae, "Spectral Element Discontinuous Galerkin Simulations for Wake Potential Calculations: NEKCEM," Preprint ANL/MCS-P1435-0607, June 2007.

M. Min, P. F. Fischer, and Y.-C. Chae, "Wake Fields in TESLA Accelerating Structures: Spectral Element Discontinuous Galerkin (SEDG) Simulations," Preprint ANL/MCS-P1462-1007, October 2007.

J. J. Moré, "Benchmarking Derivative-Free Optimization Algorithms," Preprint ANL/MCS-P1471-1207, December 2007.

J. J. Moré, T. S. Munson, and J. Sarich, "Optimization in SciDAC Applications," Journal of Physics: Conference Series, Vol 78 Part of SciDAC 2007 conference proceedings. Also Preprint ANL/MCS-P1437-0707, July 2007.

B. Norris, A. Hartono, W. Gropp, "Annotations for Productivity and Performance Portability," in Petascale Computing: Algorithms and Applications, Chapman & Hall, CRC Press (to appear). Also Preprint ANL/MCS-P1392-0107, January 2007.

E. T. Ong, J. W. Larson, B. Norris, R. L. Jacob, M. Tobis, and M. Steder, "Multilingual Interfaces for Parallel Coupling in Multiphysics and Multiscale Systems," Preprint ANL/MCS-P1395-0207, February 2007.

M. R. Paul, M. I. Einarsson, P. F. Fischer, and M. C. Cross, "Extensive Chaos in Rayleigh-Bénard Convection," Preprint ANL/MCS-P1396-0207, February 2007.

J. Shin, "Introducing Control Flow into Vectorized Code," Preprint ANL/MCS-P1411-0407, April 2007.

J. Shin, P. Malusare, and P. D. Hovland, "Design and Implementation of a Context-Sensitive, Flow-Sensitive Activity Analysis Algorithm for Automatic Differentiation," Preprint ANL/MCS-P1465-1207, December 2007.

M. Tobis, M. Steder, R. L. Jacob, R. T. Pierrehumbert, J. W. Larson, and E. T. Ong, "PyMCT and PyCPL: Refactoring the Community Climate System Model," Preprint ANL/MCS-P1415-0207, February 2007.

S. S. Varghese, S. H. Frankel, and P. F. Fischer, "Modeling Transition to Turbulence in Eccentric Stenotic Flows," Preprint ANL/MCS-P1408-0407, April 2007.

C. Zhang, M. G. Knepley, D. A. Yuen, and Y. Shi, "Two New Approaches in Solving the Nonlinear Shallow Water Equations for Tsunamis," Preprint ANL/MCS-P1459-0907, September 2007.

Publications - 2006

J. P. Allain, M. D. Coventry, and D. N. Ruzic, "Kinematic and Thermodynamic Effects on Liquid Lithium Sputtering," Preprint ANL/MCS-P1377-0906, September 2006.

J. N. Brooks, J. P. Allain, T. Rognlien, "Erosion/ Redecomposition Analysis of the ITER First Wall with Convective and Non-convective Plasma Transport," Preprint ANL/MCS-P1366-0806, August. 2006.

R. E. Camley, G. Leaf, H. Kaper, M. Yan, and M. Grimsditch, "Phase Transitions and Reversal Mechanisms in Nanosized Magnetic Bars: The Influence of Bulk and Localized Spin Wave Modes," Preprint ANL/MCS-P1359-0706, July 2006.

B. Q. Deng, J. P. Allain, Z. M. Luo, L. L. Peng, and J. C. Yan, "Near-Surface Bipartition Model for the Study of Material Response of Plasma-Facing Surfaces Exposed to Energetic Charged Particles," Preprint ANL/MCS-P1376-0906, September 2006.

B. Q. Deng, J. P. Allain, and L. L. Peng, "Effects of a Liquid Lithium Curtain as the Frist Wall in the Fuson Experimental Breeder (FEB-E) Reactor Plasma," Preprint ANL/MCS-P1375-0906, September 2006.

P. F. Fischer, F. Loth, S. E. Lee, S.-W. Lee, D. S. Smith, H. S. Bassiouny, "Simulation of High Reynolds Number Vascular Flows," Preprint ANL/MCS-P1337-0306, March 2006.

P. Fischer, F. Loth, S.-W. Lee, D. Smith, H. Tufo, and H. Bassiouny, "Parallel Simulation of High Reynolds Number Vascular Flows," Preprint ANL/MCS-P1327-0206, February 2006.

R. Fletcher, S. Leyffer, and P. Toint, "A Brief History of Filter Methods," Preprint ANL/MCS-P1372-0906, September 2006.

B. I. Gavrea, M. Anitescu, and F. A. Potra, "Convergence of a Class of Semi-implicit Time-stepping Schemes for Nonsmooth Rigid Multibody Dynamics," Preprint ANL/MCS-P1378-1006, October 2006.

P. Hovland, B. Norris, J. Utke, M. M. Strout, "Term Graphs for Imperative Programming Languages," Preprint ANL/MCS-P1311-0106, January 2006.

Z. Insepov, A. Hassanein, and D. Swenson, "Computer Simulation of Surface Modification with Ion Beams," Preprint ANL/MCS-P1364-0706, July 2006.

D. Karpeev, I. S. Aranson, L. S. Tsimring, and H. G. Kaper, "Interactions of Semiflexible Filaments and Molecular Motors," Preprint ANL/MCS-P1381-1206, December 2006.

B. Kreaseck, L. Ramos, S. Easterday, M. Strout, and P. Hovland, "Hybrid Static/Dynamic Activity Analysis," Preprint ANL/MCS-P1312-0106, January 2006.

T. Lee and P. F. Fischer, "A Lattice Boltzmann Equation Method without Parasitic Currents and Its Application in Droplet Coalescence, Preprint ANL/MCS-P1351-0506, May 2006.

S. Leyffer, "Complementarity Constraints as Nonlinear Equations: Theory and Numerical Experience," Optimization with Multivalued Mappings, S. Dempe and V. Kalashnikov, eds., Springer (to appear). Also Preprint ANL/MCS-P1320-0206, February 2006.

L. C. McInnes, J. Ray, R. Armstrong, T. L. Dahlgren, A. Malony, B. Norris, S. Shende, J. P. Kenny, and J. Steensland, "Computational Quality of Service for Scientific CCA Applications: Composition, Substitution, and Reconfiguration," Preprint ANL/MCS-P1326-0206, February 2006.

D. Negrut, M. Anitescu, A. El-Azab, and P. Zapol, "Quasicontinuum-like Reduction of DFT Calculations of Nanostructures," Preprint ANL/MCS-P1384-1206, December 2006.

B. Norris, S. Bhowmick, D. Kaushik, L. C. McInnes, "Middleware for Dynamic Adaptation of Component Applications," Preprint ANL/MCS-P1365-0806, Aug. 2006.

J. Shin and P. D. Hovland, "Comparison of Two Activity Analyses for Automatic Differentiation: Context-Sensitive Flow-Insensitive vs. Context-Insensitive Flow-Sensitive," Preprint ANL/MCS-P1369-0906, September 2006.

D. E. Stewart and M. Anitescu, "Optimal Control of Systems with Discontinuous Differential Equations," ANL/MCS-P1258-0605, June 2005.

M. M. Strout and P. Hovland, "Linearity Analysis for Automatic Differentiation," Preprint ANL/MCS-P1313-0106, January 2006

M. Yan, G. Leaf, H. Kaper, V. Novosad, P. Vavassori, R. E. Camley, and M. Grimsditch, "Stripe Domains, Dynamic Modes, and Magnetic Phase Transitions," Preprint ANL/MCS-P1333-0306, March 2006.

M. Yan, G. Leaf, H. Kaper, V. Novosad, P. Vavassori, R. E. Camley, M. Grimsditch, "Dynamic Origin of Stripe Domains in Cobalt Bars," Preprint ANL/MCS-P1353-0606, June 2006.

M. Yan, G. Leaf, H. Kaper, V. Novosad, P. Vavassori, R. E. Camley, and M. Grimsditch, "Formation of Stripe Domains in Cobalt Bars via Magnetic Soft Mode Instability," Preprint ANL/MCS-P1356-0606, June 2006.

Publications - 2005

M. Anitescu, D. Negrut, P. Zapol, and A. El-Azab, "A Note on the Regularity of Rreduced Models Obtained by Quasi-Continuum-Like Approaches," ANL/MCS-P1303-1105, November 2005.

M. Anitescu, P. Tseng, S. Wright, "Elastic-Mode Algorithms for Mathematical Programs with Equilibrium Constraints: Global Convergence and Stationarity Properties," Preprint ANL/MCS-P1242-0405, April 2005.

S. J. Benson and Y. Ye, "DSDP5 User Guide -- Software for Semidefinite Programming," Technical Memorandum ANL/MCS-TM-277, September 2005.

L. F. Diachin, P. Knupp, T. Munson, S. Shontz, "A Comparison of Two Optimization Methods for Mesh Quality Improvement," Preprint March 2005.

P. F. Fischer and C. P. Tzanos, "Filtered Simulations of Turbulence in a Reactor Rod Bundle Flow," Preprint ANL/MCS-P1213-0105, January 2005.

E. M. Gertz and J. D. Griffin, "Support Vector Machine Classifiers for Large Data Sets," Technical Memorandum ANL/MCS-TM-289, October 2005.

S. Leyffer, "A Note on Multiobjective Optimization and Complementarity Constraints," Preprint ANL/MCS-P1290-0905, September 2005.

S. Leyffer and T. Munson, "Solving Multi-Leader-Follower Games," Preprint ANL/MCS-P1243-0405, April 2005

T. S. Munson, "Optimizing the Quality of Mesh Elements," Preprint ANL/MCS-P1260-0605, June 2005

B. Norris and I. Veljkovic, "Performance Monitoring and Analysis Components in Adaptive PDE-Based Simulations," Preprint ANL/MCS-P1221-0105, January 2005

S. Benson, "Parallel Semidefinite Programming and Combinatorial Optimization," Preprint ANL/MCS-P1292-0905, September 2005

S. Benson and Yinyu Ye, "DSDP5: Software for Semidefinite Programming," Preprint ANL/MCS-P1289-0905, September 2005

A. Zagaris, H. G. Kaper, T. J. Kaper, "Two Perspectives on Reduction of Ordinary Differential Equations," Preprint ANL/MCS-P1223-0205, February 2005.

Publications - 2004

M. Anitescu, "Global Convergence of an Elastic Mode Approach for a Class of Mathematical Programs with Complementarity Constraints," Preprint ANL/MCS-P1143-0404 ANL/MCS-P1143-0404, April 2004. abstract | bibtex entry

M. Anitescu, "Optimization-Based Simulation of Nonsmooth Rigid Multibody Dynamics," Preprint ANL/MCS-P1161-0504, May 2004. abstract | bibtex entry

M. Anitescu and G. D. Hart, "A Fixed-Point Iteration Approach for Multibody Dynamics with Contact and Small Friction," Preprint ANL/MCS-P985-0802, abstract | bibtex entry February 2004.

S. J. Benson, L. McInnes, J. J. More', and J. Sarich, "Scalable Algorithms in Optimization: Computational Experiments," Preprint ANL/MCS-P1175-0604, June 2004. abstract | bibtex entry

C. H. Bischof, P. D. Hovland, and B. Norris,"on the implementation of automatic differentiation tools," preprint ANL/MCS-P1152-0404, April 2004. abstract | bibtex entry

Y. Chen, B. F. Hobbs, S. Leyffer, and T. S. Munson, "Leader-Follower Equilibria for Electric Power and NOx Allowances Markets," Preprint ANL/MCS-P1191-0804, August 2004. abstract | bibtex entry

A.-V. Demiguel, M. P. Friedlander, F. J. Nogales, and S. Scholz, "An Interior-Point Method for MPECs Based on Strictly Feasible Relaxation," Preprint ANL/MCS-P1150-0404, April 2004. abstract | bibtex entry

L. F. Diachin, P. Knupp, T. Munson, and S. Shontz, "A Comparison of Inexact Newton and Coordinate Descent Mesh Optimization Techniques," Preprint ANL/MCS-P1159-0504, May 2004. abstract | bibtex entry

E. D. Dolan, J. J. More', and T. S. Munson, "Benchmarking Optimization Software with COPS 3.0," Technical memo ANL/MCS-TM-273, February 2004. abstract | bibtex entry

E. D. Dolan, J. J. More', and T. S. Munson, "Optimality Measures for Performance Profiles," Preprint ANL/MCS-P1155-0504 May 2004. abstract | bibtex entry

P. F. Fischer, G. K. Leaf, and J. M Restrepo, "Influence of Wall Proximity on the Lift and Drag of a Particle in an Oscillatory Flow," Preprint ANL/MCS-P1202-1204 December 2004.

M. Grimsditch, L. Giovannini, F. Montoncello, F. Nizzoli, G. K. Leaf, and H. G. Kaper, "Normal Modes in Ferromagnetic nanoparticles: A Dynamical Matrix Approach," Preprint ANL/MCS-P1116-0104, ANL/MCS-P1116-0104, January 2004. abstract | bibtex entry

A. Kawano, Y. Guo, D. L. Thompson, A. L. Wagner, and M. Minkoff, "Improving the Accuracy of Interpolated Potential Energy Surfaces by Using an Analytical Zeroth-Order Potential Function," Preprint ANL/MCS-P1137-0304, ANL/MCS-P1137-0304, March 2004. abstract | bibtex entry

J. P. Kenny, S. J. Benson, Y. Alexeev, J. Sarich, C. L. Janssen, L. C. McInnes, M. Krishnan, J. Nieplocha, E. Jurrus, C. Fahlstrom, and T. L. Windus, "Component-Based Integration of Chemistry and Optimization Software," Preprint ANL/MCS-P1148-0404, April 2004. abstract | bibtex entry

W. McCune, R. Padmanabhan, M. A. Rose, and R. Veroff, "Automated Discovery of Single Axioms for Ortholattices," Algebra Universalis 52 (2004), pp. 541-549.

L. C. McInnes et al., "Parallel PDE-Based Simulations Using the Common Component Architecture," abstract | bibtex entry Preprint ANL/MCS-P1179-0704, July 2004.

M. S. Min, T. W. Lee, P. F. Fischer, and S. K. Gray, "Fourier Spectral Simulations and Gegenbauer Reconstructions for Electromagnetic Waves in the Presence of a Metal Nanoparticle," abstract | bibtex entry Preprint ANL/MCS-P1202-1004.

T. Munson, "An Averaging Method for Nash Games with Hsared Decision Variables," Preprint ANL/MCS-P1134-0304, March 2004. abstract | bibtex entry

T. Munson, "Mesh Shape-Quality Optimization Using the Inverse Mean-Ratio Metric," abstract | bibtex entry Preprint ANL/MCS-1136-0304, April 2004.

M. R. Paul, K-H. Chiam, M. C. Cross, and P. F. Fischer, "Rayleigh-Benard Convection in Large-Aspect-Ratio Domains," Preprint ANL/MCS-P1144-0404, April 2004. bibtex entry

J. Peng, M. Anitescu, and S. Akella, "Optimal Control of Multiple Robot Systems with Friction Using MPCC," Preprint ANL/MCS-P1157-0404, April 2004. abstract | bibtex entry

F. A. Potra, M. Anitescu, B. Gavrea, and J. Trinkle, "A Linearly Implicit Trapezoidal Method for Integrating Stiff Multibody Dynamics with Contact, Joints, and Friction," Preprint ANL/MCS-P1162-0504, May 2004. abstract | bibtex entry

M. M. Strout and P. D. Hovland, "Metrics and Models for Reordering Transformations," Preprint ANL/MCS-P1167-0604, June 2004. abstract | bibtex entry

J. Utke, "OpenAD" Algorithm Implementation User Guide," Technical memo ANL/MCS-TM-274, April 2004. abstract;NL/MCS-TM-274, April 2004.u bibtex entry

A. Zagaris, H. G. Kaper, and T. J. Kaper, "Analysis of the CSP Reduction Method for Chemical Kinetics," ANL/MCS-P1050-0503, Preprint ANL/MCS-P1050-0503, May 2003. Published in J. Nonlinear Sci. 14 (2004) 59-91. abstract | bibtex entry

A. Zagaris, H. G. Kaper, and T. J. Kaper, "Fast and Slow Dynamics for the Computational Singular Perturbation Method," ANL/MCS-P1114-0104, Preprint ANL/MCS-P1114-0104, January 2004. abstract | bibtex entry

Publications - 2003

M. Anitescu, "A Fixed Time-Step Approach for Multibody Dynamics with Contact and Friction," Preprint ANL/MCS-P1034-0303, March 2003. abstract | bibtex entry

M. Anitescu, W. J. Layton, and F. Pahlevani, "Unconditional Stability for Numerical Scheme Combining Implicit Timestepping for Local Effects and Explicit Timestepping for Nonlocal Effects," Preprint ANL/MCS-P10 93-0903, September 2003. abstract | bibtex entry

M. Anitescu, A. Miller, and G. D. Hart, "Constraint Stabilization for Time-Stepping Approaches for Rigid Multibody Dynamics with Joints, Contact, and Friction," in Proc. DETC'03, Chicago, September 2003. Also Preprint ANL/MCS-P1023-0403, April 2003.

S. Benson, M. Krishnan, L. McInnes, J. Nieplocha, and J. Sarich, "Using the GA and TAO Toolkits for Solving Large-Scale Optimization Proble ms on Parallel Computers," Preprint ANL/MCS-P1084-0903,, September 2003. abstract | bibtex entry

S. J. Benson and T. S. Munson, "Flexible Complementarity Solvers for Large-Scale Applications," Preprint ANL/MCS-P1055-0603, June 2003.

M. Cohen, U. Naumann, and J. Riehme, "Towards Differentiation-Enabled Fortran 95 Compiler Technology," Proc. ACM Symp. on Applied Computing, Melbourne, FL, 3/9-12/2003, pp. 143-147 (also Preprint ANL/MCS-P935-0202, May 2003). abstract | bibtex entry

A. A. Dunca, "Optimal Design of Fluid Flow Using Subprobvlems Reduced by Large Eddy Simulation," Preprint ANL/MCS-P1117-1003, October 2003. bibtex entry | abstract

J. J. Evans, S. Baik, C. S. Hood, and W. Gropp, "Toward Understanding Soft Faults in High-Performance Cluster Networks," Preprint ANL/MCS-P1017-0700, January 2003. bibtex entry bibtex entry

M. Grimsditch, G. K. Leaf, H. G. Kaper, D. A. Karpeev, and R. E. Camley, "Normal Modes of Spin Excitations in Magnetic Nanoparticles," ANL/MCS-P104-0301, Preprint ANL/MCS-P1049-0503, May 2003. abstract | bibtex entry

G. D. Hart and M. Anitescu, "A hard-constraint time-stepping approach for rigid multibody dynamics with joints, contact, and friction," preprintANL/MCS-P1099-0903, October 2003. abstract | bibtex entry

L. Hascoet, U. Naumann, and V. Pascual, "TBR Analysis in Reverse-Mode Automatic Differentiation," Preprint MCS-P936-0202, February 2003. abstract | bibtex entry

I. Lee, P. Raghaven, S. Schofield, and P. Fischer, "An O(n log n) Solution Algorithm for Spectral Element Methods," Preprint ANL/MCS-P1041-0403, April 2003. bibtex entry

S. Leyffer, "Mathematical Programs with Complementarity Constraints," Preprint ANL/MCS-P1026-0101, February 2003. abstract | bibtex entry

S. Leyffer, "The Penalty Interior-Point Method Fails to Converge," Preprint ANL/MCS-P1091-0903, September 2003 abstract | bibtex entry

J. W. Lottes and P. F. Fischer, "Hybrid Multigrid/Schwarz Algorithms for the Spectral Element Method," Preprint ANL/MCS-P1052-0403, April 2003. bibtex entry

J. N. Lyness, "Notes on Lattice Rules," J. Complexity 19 (2003) 321-331. abstract | bibtex entry

J. N. Lyness and T. Sorevik, "Four-Dimensional Lattice Rules Generated by Skew-Circulant Matrices," Preprint ANL/MCS-P1012-0702, May 2003. abstract | bibtex entry

P. J. Moon, G. Sandi, D. Stevens, and R. Kizilel, "Computational Modeling of Ionic Transport in Continuous and Batch Electrodialys is," Preprint ANL/MCS-P1111-1203, December 2003. abstract | bibtex entry

U. Naumann, "Optimal Accumulation of Jacobian Matrices by Elimination Methods on the Dual Computational Graph," Preprint ANL/MCS-P943-0402, April 2003. abstract | bibtex entry

U. Naumann, "Statement-Level Optimality of Tangent-Linear and Adjoint Models," Preprint ANL/MCS-P-1066 June 2003. abstract | bibtex entry

U. Naumann and P. Gottschling, "Simulated Annealing for Optimal Pivot Selection in Jacobian Accumulation," Preprint ANL/MCS-P1032-0303, March 2003. abstract | bibtex entry

U. Naumann and P. Heimbach, "Coupling Tangent-Llinear and Adjoint Models," Preprint ANL/MCS-P1022-0203, June 2003. abstract | bibtex entry

U. Naumann and J. Utke, "Reduction of Edge Labeled DAGs through Constant Folding," Preprint ANL/MCS-P1073-0903, September 2003. bibtex entry

U. Naumann and A. Walther, "An Introduction to Using Software Tools for Automatic Differentiation," ANL/MCS-TM-254 July 2003 abstract | bibtex entry

T. Ozgokmen, P. Fischer, J. Duan, and T. Iliescu", Three-Dimensional Turbulent Bottom Density Currents from a High-Order Non hydrostatic Spectral Element Model," Preprint ANL/MCS-P1106-1103, November 2003. bibtex entry

J.-S. Pang and S. Leyffer, "On the Global Minimization of the Value-at-Risk," Preprint ANL/MCS-P1112-1203, December 2003. abstract bibtex entry

Y. Zhou, "Eigenvalue Computation from the Optimization Perspective: On Jacobi-David son, IIGD, RQI, and Newton Updates," Preprint ANL/MCS-P1074-0803, August 2003. abstract | bibtex entry

Publications - 2002

A. Albrecht, P. Gottschling, and U. Naumann, "Markowitz-Type Heuristics for Computing Jacobian Matrices Efficiently," Preprint ANL/MCS-P933-0202, February 2002. abstract | bibtex entry

M. Anitescu and G. D. Hart, "Solving Nonconvex Problems of Multibody Dyamics with Contact and Small Friction by Successive Convex Relaxation," ANL/MCS-P995-0902, September 2002. abstract | bibtex entry

M. Anitescu and G. D. Hart, "A Constraint Stabilized Time-Stepping Approach for Multibody Dynamics with Contact and Small Friction," Preprint ANL/MCS-P1002-1002, October 2002. abstract | bibtex entry

E. D. Dolan, R. Fourer, J.-P. Goux, and T. S. Munson, "Kestrel: An Interface from Modeling Systems to the NEOS Server," Preprint ANL/MCS-P986-0802, August 2002. ANL/MCS-P986-0802, August 2002. abstract | bibtex entry

E. D. Dolan, R. Fourer, J. J. More', and T. S. Munson, "The NEOS Server for Optimization: Version 4 and Beyond," Preprint ANL/MCS-P947-0202, February 2002

E. D. Dolan and J. J. More', "Benchmarking Optimization Software with Performance Profiles," Math. Program. Ser. A 91 (2002): 201-213. abstract | bibtex entry

M. P. Friedlander and M. A. Saunders, "A Globally Convergent LCL Method for Nonlinear Optimization," ANL/MCS-P-1015, December 2002. abstract | bibtex entry

P. D. Hovland, U. Naumann, and B. Norris, "An XML-Based Platform for Semantic Transformation for Numerical Programs," Preprint ANL/MCS-P950-0402, April 2002. abstract | bibtex entry

T. Iliescu and P. Fischer, "Large Eddy Simulation of Turbulent Channel Flows by the Rational LES Model," Preprint ANL/MCS-P938-0302, March 2002. abstract | bibtex entry

G. K. Leaf, S. Obukhov, S. Scheidl, and V. M. Vinokur, "Transient Dynamics of Pinning of Domain Wall," J. Magnetism and Magnetic Naterials 241 (2002) 118-123. abstract | bibtex entry

J. N. Lyness and S. Joe, "The Number of Lattice Rules of Specified Upper Class and Rank," Preprint ANL/MCS-P979-0802, August 2002. abstract | bibtex entry

J. N. Lyness and G. Monegato, "Asymptotic Expansions for Two-Dimensional Hypersingular Integrals," ANL/MCS-P1011-1102, November 2002. abstract | bibtex entry

L. McInnes, B. Norris, S. Bhowmick, and P. Raghaven "Adaptive Sparse Linear Solvers for Implicit CFD Using Newton-Krylov Algorithms, " Preprint ANL/MCS-P998-0902, September 2002.

J. J. More' and T. S. Munson, "Computing Mountain passes and Transition States," Preprint ANL/MCS-P957-0502, May 2002. bibtex entry

U. Naumann, "On Optimal Jacobian Accumulation for Single Expression Use Programs," ANL/MCS-P944-0402 April 2002. abstract | bibtex entry

B. Norris, S. Balay, S. Benson, L. Freitag, P. Hovland, L. McInnes, and B. Smith, "Parallel Components for PDEs and Optimization: Some Issues and Experiences," Preprint ANL/MCS-P932-0202, ANL/MCS-P932 -0202, February 2002. abstract | bibtex entry

M. R. Paul, M. C. Cross, and P. F. Fischer, "Rayleigh-Benard Convection with a R adial Ramp in Plate Separation," Preprint ANL/MCS-P982-0802, August 2002. bibtex entry

J. M. Restrepo and G. K. Leaf, "Noise Effects on Wave-Generated Transport Induced by Ideal Waves," 32 (2002) 2334-2349. abstract | bibtex entry

S. J. Wright, "Solving Optimization Problems on Computational Grids," ANL/MCS-P874-0101, January 2001. abstract | bibtex entry

Publications - 2001

S. J. Benson and Y. Ye, "DSDP3: Dual Scaling Algorithm for General Positive Semidefinite Programming," Preprint ANL/MCS-P851-1000, Feb. 2001. abstract | bibtex entry

L. C. Berselli, G. P. Galdi, T. Iliescu, and W. J. Layton, "Mathematical Analysis for the Rational Large Eddy Simulation Model," Preprint ANL/MCS-P914-1001, October 2001. bibtex entry | abstract

T. Colin, C. Galusinski, and H. G. Kaper, "Waves in Ferromagnetic Media," ANL/MCS-P880 -0301, March 2001. (published in Commun. in PDEs 27, no. 7-8 (2002)1625-1658) abstract | bibtex entry

E. D. Dolan, "NEOS Server 4.0 Administrative Guide," ANL/MCS-TM- 250, May 2001. abstract | bibtex entry

E. Dolan, P. Hovland, J. More', B. Norris, and B. Smith, "Remote Access to Mathematical Software," ANL/MCS-P889-0601, Preprint ANL/MCS-P889-0601, June 2001. abstract | bibtex entry

E. D. Dolan and T. S. Munson, "The Kestrel Interface to the NEOS Server," ANL/MCS-TM-248 Tech Memo ANL/MCS-TM-248, June 2001. abstract | bibtex entry

P. F. Fischer and J. S. Mullen, "Filter-based Stabilization of Spectral Element Methods," C. R. Acad. Sci. Paris 332, series 1 (2001) 265-270.

W. M. Gertz, P. E. Gill, and J. Muetherig, "Users Guide for SnadiOpt: A Package Adding Automatic Differentiation to Snopt," Technical Memorandum ANL/MCS-TM-245, ANL/MCS-TM-245, January 2001. bibtex entry.

E. M. Gertz, "A Quasi-Newton Trust-Region Method," Preprint ANL/MCS-P873-0201, February 2001. abstract | bibtex entry

E. M. Gertz and S. Wright, OOQP User Guide, Tech Memo ANL/MCS-TM-252, October 2001. abstract | bibtex entry

J. Samuel Jiang, H. G. Kaper, and G. K. Leaf, "Hysteresis in Layered Spring Magnets," Discrete and Continuous Dynamical Systems - Series B 1, no. 2 (May 2001), 219-232. abstract | bibtex entry

H. G. Kaper and H. Nordborg, "The Frozen-Field Approximation and the Ginzburg-Landau Equations of Superconductivity," J. Engineering Mathematics 39 (2001) 221-240. abstract | bibtex entry

J. Linderoth and S. Wright, "Decomposition Algorithms for Stochastic Programming on a Computational Grid", ANL/MCS-P875-0401, April 2001. abstract | bibtex entry

R. Shepard, A. F. Wagner, J. L. Tilson, and M. Minkoff, "The Subspace Projected Approximate Matrix (SPAM) Modification of the Davidson Method," ANL/MCS-P878-0401, Preprint ANL/MCS-P878-0401, April 2001. Published in Journal of Computational Physics 172, no. 2 (Sept. 2001), 472-514. abstract | bibtex entry

S. J. Wright, "Effects of Finite-Precision Arithmetic on Interior-Point Methods for Nonlinear Programming," Preprint ANL/MCS-P705-0198, Jan. 2001. abstract | bibtex entry

Publications - 2000

J. Abate, S. Benson, L. Grignon, P. Hovland, L. McInnes, B. Norris, "Integrating Automatic Differentiation with Object-Oriented Toolkits for High-Performance Scientific Computing," Preprint ANL/MCS-P820-0500, May 2000. abstract | bibtex entry

S. Balay, W. Gropp, L. McInnes, and B. Smith, "Software for the Scalable Solution of PDEs", The CRPC Handbook of Parallel Computing, Morgan-Kaufmann (to appear). Also Preprint ANL/MCS-P834-0700, July 2000. bibtex entry

S. J. Benson, L. C. McInnes, and J. J. More', "GPCG: A Case Study in the Performance and Scalability of Optimization Algorithm s." Preprint ANL/MCS-P768-0799, September 2000. bibtex entry

S. J. Benson and Y. Ye, "Approximating Maximum Stable Set and Minimum Graph Coloring Problems with the Positive Semidefinite Relaxation," Preprint ANL/MCS-P830-0600, June 2000. abstract | bibtex entry

C. H. Bischof and H. M. Bücker, "Computing Derivatives of Computer Programs, Preprint ANL/MCS-P813-0400, April 2000. abstract | bibtex entry

C. H. Bischof, H. M. Bücker, and P. D. Hovland, "On Combining Computational Differentiation and Toolkits for Parallel Scientific Computing," Preprint ANL/MCS-P797-0200, Feb. 2000. abstract | bibtex entry

H. M. Bucker, K. R. Buschelman, and P. D. Hovland, "A Matrix-Matrix Multiplication Approach to the Automatic Differentiation and Parallelization of Straight-Line Codes," Preprint ANL/MCS-P854-1000, October 2000. abstract | bibtex entry

K. R. Buschelman, W. D. Gropp, L. C. McInnes, and B. F. Smith, "PETSc and Overture: Lessons Learned Developing an Interface between Components," Preprint ANL/MCS-P858-1100, November 2000. abstract | bibtex entry

G. W. Crabtree, D. O. Gunter, H. G. Kaper, A. E. Koshelev, G. K. Leaf, and V. M. Vinokur, "Numerical Simulations of Driven Vortex Systems," Physical Review B 61, no. 2 (Jan. 2000), pp. 1446-1455. abstract | bibtex entry

L. G. de Pillis and E. G. de Pillis, "A Mathematical Framework for Understanding Continuum Effects of Budget Fluctuations on a University," Preprint ANL/MCS-P806-0400, April 2000. bibtex entry | abstract

E. G. de Pillis and L. G. de Pillis, "The Long-Term Impact of University Budget Cuts: A Mathematical Model," Preprint ANL/MCS-P817-0500, May 2000. bibtex entry | abstract

L. G. de Pillis and A. Radunskaya, "A Mathematical Tumor Model with Immune Resistance and Drug Therapy: an Optimal Control Approach," Preprint ANL/MCS-P805-0400, April 2000. bibtex entry | abstract

E. D. Dolan and J. J. More', "Benchmarking Optimization Software with COPS," Technical Memo ANL/MCS-TM-246, November 2000. abstract | bibtex entry

M. C. Ferris and T. S. Munson, "Semismooth Support Vector Machines," Technical Memo ANL/MCS-P860-1100, November 2000. abstract | bibtex entry

L. A. Freitag and R. M. Loy, "Comparison of Remote Visualization Strategies for Interactive Exploration of Large Data Sets," Preprint ANL/MCS-P803-0300, March 2000. abstract | bibtex entry

L. A. Freitag and R. M. Loy, "Using Desktop Graphics Workstations for Interactive Remote Exploration of Large Data Sets," Preprint ANL/MCS-P809-0400, April 2000. abstract | bibtex entry

M. Garbey and H. G. Kaper, "Asymptotic-Numerical Study of Supersensitivity for Generalized Burgers' Equations," SIAM J. Sci. Comput. 22, no. 1 (2000) 368-385. abstract | bibtex entry

W. D. Gropp, D. K. Kaushik, D. E. Keyes, and B. F. Smith, "High-Performance Parallel Implicit CFD," Preprint ANL/MCS-P863-1200, December 2000. abstract | bibtex entry

W. D. Gropp, D. K. Kaushik, D. E. Keyes, and B. F. Smith, "Latency, Bandwidth, and Concurrent Issue Limitations in High-Performance CFD," Preprint ANL/MCS-P850-1000, October 2000. abstract | bibtex entry

W. D. Gropp, D. K. Kaushik, D. E. Keyes, and B. F. Smith, "Performance Modeling and Tuning of an Unstructured Mesh CFD Application," Preprint ANL/MCS-P833-0700, July 2000. abstract | bibtex entry

W. D. Gropp, D. K. Kaushik, D. E. Keyes, and B. F. Smith, "Understanding the Parallel Scalability of an Implicit Unstructured Mesh CFD Code," Preprint ANL/MCS-P845-0900, September 2000. abstract | bibtex entry

W. D. Gropp, D. E. Keyes, L. C. McInnes, and M. D. Tidriri, "Globalized Newton-Krylov-Schwarz Algorithms and Software for Parallel Implicit CFD," Int. J. High Perform. Comput. Appl. (to appear). Also Preprint ANL/MCS-P788-0100, Jan. 2000. abstract | bibtex entry

D. O. Gunter, H. G. Kaper, and G. K. Leaf, "Implicit Integration of the Time-Dependent Ginzburg-Landau Equations of Superconductivity," Preprint ANL/MCS-P765-0699, June 1999, revised July 2000. (published in SIAM J. Sci. Comput. 23, no. 6 (2002) 1944-1959). abstract | bibtex entry

P. D. Hovland, D. E. Keyes, L. C. McInnes, and W. Samyono, "Using Automatic Differentiation for Second-Order Matrix-Free Methods in PDE-constrained Optimization," Preprint ANL/MCS-P855-1100, November 2000. bibtex entry

P. D. Hovland and L. C. McInnes, "Parallel Simulation of Compressible Flow Using Automatic Differentiation and PETSc," Parallel Computing, special issue on Parallel Computing in Aerospace (to appear). Also Preprint ANL/MCS-P796-0200, Nov. 2000. abstract | bibtex entry

T. Iliescu, "Genuinely Nonlinear Models for Convection-Dominated Problems," Preprint ANL/MCS-P857-1100, November 2000. bibtex entry | abstract

J. Samuel Jiang, H. G. Kaper, and G. K. Leaf, "Numerical Simulations of Magnetic Reversal in Layered Spring Magnets," ANL/MCS-TM- 247, November 2000. abstract | bibtex entry

H. G. Kaper and H. Nordborg, "The Ginzburg-Landau Equations of Superconductivity in the Limit of Weak Coupling near the Upper Critical Field," Preprint ANL/MCS-P786-0100, January 2000. abstract | bibtex entry

J. G. Kim and P. D. Hovland, "Sensitivity Analysis and Parameter Tuning of a Sea-Ice Model," Preprint ANL/MCS-P819-0500, May 2000. abstract | bibtex entry

S. L. Lee and P. D. Hovland, "Sensitivity Analysis Using Parallel ODE Solvers and Automatic Differentiation in C: SensPVODE and ADIC," Preprint ANL/MCS-P818 -0500, May 2000. abstract | bibtex entry

J. J. More', "Automatic Differentiation Tools in Optimization Software," Preprint ANL/MCS-P859 -1100, November 2000. abstract | bibtex entry

B. Norris and P. D. Hovland, "An Application Server for Automatic Differentiation," Preprint ANL/MCS-P856-1100, November 2000. abstract | bibtex entry

F. A. Potra and S. J. Wright, "Interior-Point Methods," Journal of Computational and Applied Mathematics 124 (2000) 281-302. abstract | bibtex entry

S. J. Wright, "Constraint Identification and Algorithm Stabilization for Degenerate Nonlinear Programs," Preprint ANL/MCS-P865-1200, December 2000. abstract | bibtex entry

S. J. Wright, "On Reduced Convex QP Formulations of Monotone LCP Problems," Preprint ANL/MCS-P808-0400, April 2000. abstract | bibtex entry

S. J. Wright, "Optimization Software Packages," Handbook of Applied Optimization, M. Resende and P. Pardalos, eds., Oxford University Press, to appear. bibtex entry

E. A. Yildirim and S. J. Wright, "Warm-start Strategies in Interior-Point Methods for Linear Programming," Preprint ANL/MCS-P799-0300, March 2000. abstract | bibtex entry

Last modified: March 19, 2008