mathematics
and
computer
science

LANS

Selected Publications

M. Lubin, J. A. Julian Hall, C. G. Petra, M. Anitescu, "Parallel Distributed-Memory Simplex for Large-Scale Stochastic LP Problems," Preprint ANL/MCS-P2075-0412 April 2012. [pdf]

E. Ng, J. Sarich, S. Wild, T. Munson, H. M. Aktulga, C. Yang, P. Maris, J. Vary, M. Kortelainen, W. Nazarewicz, T. Papenbrock, N. Schunck, M. Stoitsov, and M. Bertolli , "Advancing Nuclear Physics Through TOPS Solvers and Tools," SciDAC 2011 Conference, Denver, CO, 2011. Also Preprint ANL/MCS-P1958-1011 July 2011. [pdf]

R. Ranjan, C. Pantano, and P. Fischer, "Direct Simulation of Turbulent Heat Transfer in Swept Flow over a Wire in a Channel," International J. of Heat and Mass Transfer, vol. 54, no. 21, 2011, pp. 4636-4654. Also Preprint ANL/MCS-P1908-0611 June 2011. [pdf]

V. M. Zavala, "Real-Time Optimization Strategies for Building Systems," Preprint ANL/MCS-P1911-0611 June 2011. [pdf]

D. Buntinas, "Scalable Distributed Consensus to Support MPI Fault Tolerances," Technical Memorandum ANL/MCS-TM-314 June 2011. [pdf]

V. M. Zavala, D. Skow, T. Celinski, and P. Dickinson, "Techno-Economic Evaluation of a Next-Generation Building Energy Management System," Technical Memorandum ANL/MCS-TM-313 May 2011. [pdf]

J. Larson and S. M. Wild, "Non-intrusive Termination of Noisy Optimization," Optimization Methods and Software, 2012. Also Preprint ANL/MCS-P1887-0511 May 2011. [pdf]

L. Wang, J. Lee, M. Anitescu, A. El Azab, L. C. McInnes, T. Munson, and B. Smith, "A Differential Variational Inequality Approach for the Simulation of Heterogeneous Materials," Proc. SciDAC2011 Conference, Denver, CO, 2011. Also Preprint ANL/MCS-P1895-0511 May 2011. [pdf]

M. Min and P. Fischer, "Performance Analysis on the IBM Blue Gene/P for Wakefield Calculations," Proceedings of 2011 Particle Accelerator Conference, New York, NY, USA, PAC'11 OC/IEEE, 1969, pp. 1737-1739. Also Preprint ANL/mCS-P1870-0411 April 2011. [pdf]

J. J. More and S. M. Wild, "Estimating Computational Noise," SIAM J. Sci. Comput., vol. 33, no. 3, 2011, pp. 1291-1314. Also Preprint ANL/MCS-P1721-0210 March 2011. [pdf]

S. H. K. Narayanan, B. Norris, P. Hovland, D. C. Nguyen, and A. H. Gebremedhin, "Sparse Jacobian Computation Using ADIC2 and ColPack," Procedia Computer Science, Singapore, 2011, pp. 2115-2123. Also Preprint ANL/MCS-P1841-0211 February 2011. [pdf]

V. M. Zavala and M. Anitescu, "New Insights into the Dynamic Stability of Wholesale Electricity Markets," Preprint ANL/MCS-P1839-0211 February 2011. [pdf]

O. Roderick, Z. Wang, and M. Anitescu, "Dimensionality Reduction for Uncertainty Quantification of Nuclear Engineering Models," Preprint ANL/MCS-P1832-0111 January 2011. [pdf]

B. A. Lockwood and M. Anitescu, "Gradient-Enhanced Universal Kriging for Uncertainty Propagation in Nuclear Engineering," VVUHPC 2010 Workshop, New Orleans, LA, 2010. Also Preprint ANL/MCS-P1833-0111 January 2011. [pdf]

F. You and S. Leyffer, "Oil Spill Response Planning with MINLP," SIAG/OPT Views-and-News, vol. 21, no. 2, 2010, pp. 1-7. Also Preprint ANL/MCS-P1846-0111 January 2011. [pdf]

V. M. Zavala and M. Anitescu, "On the Dynamic Stability of Electricity Markets," Preprint ANL/MCS-P1834-0111 January 2011. [pdf]

K. C. Uga, M. Min, T. Lee, and P. F. Fischer, "Spectral-Element Discontinuous Galerkin Lattice Boltzmann Simulation of Flow Past Two Cylinders in Tandem with an Exponential Time Integrator," Computers and Mathematics with Applications, 2011. Also Preprint ANL/MCS-P1829-0111 January 2011. [pdf]

J. Brown, B. Smith, and A. Ahmadia, "Achieving Textbook Multigrid Efficiency for Hydrostatic Ice Sheet Flow," Para 2010: State of the Art in Scientific and Parallel Computing, Reykjavik, Iceland, 2010. December 2010. [pdf]

F. You and S. Leyffer, "Mixed-Integer Dynamic Optimization for Oil-Spill Response Planning with Integration of a Dynamic Oil Weathering Model," AIChE J., vol. 57, no. 12, 2010, pp. 3555-3564. October 2010. [pdf]

A. Kannan and V. M. Zavala, "A Game-Theoretical Dynamic Model for Electricity Markets," Preprint ANL/MCS-P1792-1010 October 2010. [pdf]

E. M. Constantinescu and A. Sandu, "Extrapolated Multirate Methods for Differential Equations with Multiple Time Scales," Journal of Scientific Computing, Springer US, 2012, pp. 1-17. Also Preprint ANL/MCS-P1796-1010 October 2010. [pdf]

M. Lubin, C. G. Petra, and M. Anitescu, "The Parallel Solution of Dense Saddle-Point Linear Systems Arising in Stochastic Programming," Optimization Methods and Software, 2011. Also Preprint ANL/MCS-P1798-1010 October 2010. [pdf]

V. Minden, B. Smith, and M. G. Knepley, "Preliminary Implementation of PETSc Using GPUs," Preprint ANL/MCS0P1787-0810 August 2010. [pdf]

J. J. More' and S. M. Wild, "Estimating Derivatives of Noisy Simulations," Preprint ANL/MCS-P1785-0810 August 2010. [pdf]

R. T. Mills, V. Sripathi, G. Mahinthakumar, G. E. Hammond, P. C. Lichtner, and B. F. Smith, "Engineering PFLOTRAN for Scalable Performance on Cray XT and IBM BlueGene Architectures," Preprint ANL/MCS-P1779-0710 July 2010. [pdf]

D. Negrut, A. Tasora, M. Anitescu, H. Mazhar, T. Heyn, and A. Pazouki, "Solving Large Multibody Dynamics Problems on the GPU," Preprint ANL/MCS-P1777-0710 July 2010. [pdf]

S. Leyffer and A. Mahajan, "Software for Nonlinearly Constrained Optimization," Preprint ANL/MCS-P1768-0610 June 2010. [pdf]

S. Leyffer and A. Mahajan, "Foundations of Constrained Optimization," Wiley Encyclopedia of Operations Research and Management Science, John Wiley and Sons, Inc., 2011. Also Preprint ANL/MCS-P1767-0610 June 2010. [pdf]

B. Kreaseck, M. M. Strout, and P. Hovland, "Depth Analysis of MPI Programs," Preprint ANL/MCS-P1754-0510 May 2010. [pdf]

C. G. Petra and M. Anitescu, "A Preconditioning Technique for Schur Complement Systems Arising in Stochastic Optimization," Computational Optimization and Applications, 2011, pp. 1-30. May 2010. [pdf]

D. Ron, I. Safro, and A. Brandt, "Relaxation-Based Coarsening and Multiscale Graph Organization," Multiscale Modeling Simulation, vol. 9, no. 1, 2010, pp. 407-423. April 2010. [pdf]

I. Safro and B. Temkin, "Multiscale Approach for the Network Compression-Friendly Ordering," Preprint ANL/MCS-P1751-0410 April 2010. [pdf]

V. M. Zavala and M. Anitescu, "Achieving Higher Frequencies in Large-Scale Nonlinear Model Predictive Control," Preprint ANL/MCS-P1742-0410 April 2010. [pdf]

J. Elliott, M. Franklin, I. Foster, K. Judd, and T. Munson, "Propagation of Data Error and Parametric Sensitivity in Computable General Equilibrium Model Forecasts," Preprint ANL/MCS-P1650-0709 March 2010. [pdf]

S. Leyffer, "Experiments with MINLP Branching Techniques," Preprint ANL/MCS-P1734-0310 March 2010. [pdf]

R. Ranjan, C. Pantano, and P. Fischer, "Direct Simulation of Turbulent Swept Flow Over a Wire in a Channel," Journal of Fluid Mechanics, vol. 651, 2010, pp. 165-209. Also Preprint ANL/MCS-P1733-0310 March 2010. [pdf]

V. M. Zavala, J. Wang, S. Leyffer, E. M. Constantinescu, M. Anitescu, and G. Conzelmann, "Proactive Energy Management for Next-Generation Building Systems," Preprint ANL/MCS-P1728-0210 February 2010. [pdf]

A. Alessandri, M. Baglietto, G. Battistelli, and V. Zavala, "Computationally Efficient, Approximate Moving Horizon State Estimation for Nonlinear Systems," Proc. 8th IFAC Symposium on Nonlinear Control Systems, Bologna, Italy, 2010. January 2010. [pdf]

S. H. K. Narayanan, B. Norris, and B. Winnicka, "ADIC2: Development of a Component Source Transformation System for Differentiating C and C++," ICCS 2010, vol. 1, no. 1, Amsterdam, Netherlands, Elsevier B.V., 2010, pp. 1839-1847. Also Preprint ANL/MCS-P1714-0110 January 2010. [pdf]

J. Elliott, I. Foster, K. Judd, E. Moyer, and T. Munson, "CIM-EARTH: Community Integrated Model of Economic and Resource Trajectories for Humankind," Technical Memorandum ANL/MCS-TM-307 January 2010. [pdf]

M. Alexe, O. Roderick, J. Utke, M. Anitescu, P. Hovland, and T. Fanning, "Automatic Differentiation of Codes in Nuclear Engineering Applications," Technical Memorandum ANL/MCS-TM-310 December 2009. [pdf]

J. Shin, M. W. Hall, J. Chame, C. Chen, P. F. Fischer, and P. D. Hovland, "Speeding Up Nek5000 with Autotuning and Specialization," Proceedings of the 24th ACM International Conference on Supercomputing, Tsukuba, Ibaraki, Japan, ACM, 2009, pp. 253-262. Also Preprint ANL/MCS-P1705-1209 December 2009. [pdf]

W. Guan, A. Gray, and S. Leyffer, "Mixed-Integer Support Vector Machine," Preprint ANL/MCS-P1697-1209 December 2009. [pdf]

J. Elliott, I. Foster, K. Judd, E. Moyer, and T. Munson, "CIM-EARTH: Framework and Case Study," B.E. Journal of Economic Analysis & Policy, vol. 10, no. 2, 1969. Also Preprint ANL/MCS-P1710-1209 December 2009. [pdf]

A. Guerra, A. M. Newman, and S. Leyffer, "Concrete Structure Design Using Mixed-Integer Nonlinear Programming with Complementarity Constraints," Preprint ANL/MCS-P1869-1109 November 2009. [pdf]

M. Min and T. Lee, "A Spectral-Element Discontinuous Galerkin Lattice Boltzmann Method for Incompressible Flows," J. Comput. Phys., vol. 230, 2011, pp. 245-259. Also Preprint ANL/MCS-P1688-1009 October 2009. [pdf]

E. M. Constantinescu, V. M. Zavala, M. Rocklin, S. Lee, and M. Anitescu, "A Computational Framework for Uncertainty Quantification and Stochastic Optimization in Unit Commitment with Wind Power Generation," IEEE Transactions on Power Systems, vol. 26, no. 1, 2011, pp. 431-441. Also Preprint ANL/MCS-P1681-1009 October 2009. [pdf]

V. M. Zavala, E. M. Constantinescu, and M. Anitescu, "Economic Impacts of Advanced Weather Forecasting in Energy System Operations," Preprint ANL/MCS-P1687-1009 October 2009. [pdf]

J. Chen and I. Safro, "Algebraic Distance on Graphs," Preprint ANL/MCS-P1696-1009 October 2009. [pdf]

S. H. K. Narayanan, B. Norris, and P. D. Hovland, "Generating Performance Bounds from Source Code," Preprint ANL/MCS-P1685-1009 October 2009. [pdf]

H. Fang, S. Leyffer, and T. Munson, "A Pivoting Algorithm for Linear Programming with Linear Complementarity Constraints," Optimization Methods Software , Optimization Community, 1969. Also Preprint ANL/MCS-P1680-1009 October 2009. [pdf]

E. M Constantinescu, V. M. Zavala, M. Rocklin, S. Lee, and M. Anitescu, "Unit Commitment with Wind Power Generation: Integrating Wind Forecast Uncertainty and Stochastic Programming," Technical Memorandum ANL/MCS-TM-309 September 2009. [pdf]

J. Chen and I. Safro, "A Measure of the Connection Strengths between Graph Vertices with Applications," Preprint ANL/MCS-P1677-0909 September 2009. [pdf]

Z. Xie and J. M. Bowman, "Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization," Journal of Chemical Theory and Computation, vol. 6, no. 1, 2009, pp. 26-34. Also Preprint ANL/MCS-P1674-0909 September 2009. [pdf]

J. Shin, M. W. Hall, J. Chame, C. Chen, and P. D. Hovland, "Autotuning and Specialization: Speeding up Matrix Multiply for Small Matrices with Compiler Technology," In The Fourth International Workshop on Automatic Performance Tuning, 2009. Also Preprint ANL/MCS-P1664-0809 August 2009. [pdf]

V. Bui, B. Norris, and L. C. McInnes, "An Automated Component-Based Performance Experiment Environment," Proceedings of the 2009 Workshop on Component-Based High Performance Computing, Portland, Oregon, USA, ACM, 1969. Also Preprint ANL/MCS-P1666-0809 August 2009. [pdf]

B. Smith and H. Zhang, "Sparse Triangular Solve Revisited: Data Layout Crucial to Better Performance," Preprint ANL/MCS-P1658-0809 August 2009. [pdf]

L. Li, T. L. Dahlgren, L. C. McInnes, and B. Norris, "Interface Contract Enforcement for Improvement of Computational Quality of Service (CQoS) for Scientific Components," Proceedings of the 2009 Workshop on Component-Based High Performance Computing, Portland, Oregon, USA, ACM, 2009. Also Preprint ANL/MCS-P1663-0809 August 2009. [pdf]

D. Giannakis, R. Rosner, and P. F. Fischer, "Instabilities in Free-Surface Hartmann Flow at Low Magnetic Prandtl Numbers," Journal of Fluid Mechanics, vol. 636, Cambridge University Press, 2009, pp. 217-277. Also Preprint ANL/MCS-P1637-0609 June 2009. [pdf]

V. M. Zavala and M. Anitescu, "Real-Time Optimization as a Generalized Equation," SIAM J. Control Optim., vol. 48, 2010, pp. 5444-5454. Also Preprint ANL/MCS-P1641-0609 June 2009. [pdf]

D. Giannakis, P. F. Fischer, and R. Rosner, "A Spectral Galerkin Method for the Coupled Orr-Sommerfeld and Induction Equations for Free-Surface MHD," J. of Computational Physics, vol. 228, 2009, pp. 1188-1233. Also Preprint ANL/MCS-P1639-0609 June 2009. [pdf]

S. Leyffer, J. Linderoth, J. Luedtke, A. Miller, and T. Munson, "Applications and Algorithms for Mixed Integer Nonlinear Programming," Journal of Physics: Conference Series, vol. 180, no. 1, 2009, pp. 012014. Also Preprint ANL/MCS-P1630-0509 May 2009. [pdf]

E. M. Constantinescu and A. Sandu, "Achieving Very High Order for Implicit Explicit Time Stepping: Extrapolation Methods," Technical Memorandum ANL/MCS-TM-306 April 2009. [pdf]

D. Kaushik, M. Smith, A. Wollaber, B. Smith, A. Siegel, and W. S. Yang, "Enabling High Fidelity Neutron Transport Simulations on Petascle Architectures," Proceedings of the Conference on High Performance Computing Networking, Storage and Analysis, vol. 67, Portland, Oregon, ACM, 2009. Also Preprint ANL/MCS-P1608-0409 April 2009. [pdf]

E. M. Constantinescu and A. Sandu, "Extrapolated Implicit-Explicit Time Stepping," SIAM J. Sci. Comput., vol. 31, no. 6, 2010, pp. 4452-4477. Also Preprint ANL/MCS-P1612A-0409 April 2009. [pdf]

V. M. Zavala, E. M. Constantinescu, T. Krause, and M. Anitescu, "On-Line Economic Optimization of Energy Systems Using Weather Forecast Information," J. Process Control, vol. 19, no. 10, 2009, pp. 1725-1736. Also Preprint ANL/MCS-P1588-0309 March 2009. [pdf]

M. Altunay, S. Leyffer, J. T. Linderoth, Z. Xie, "Optimal Response to Attacks on Open Science Grids," Computer Networks, vol. 55, no. 1, 2011, pp. 61-73. Also Preprint ANL/MCS-P1593-0309 March 2009. [pdf]

A. Tasora and M. Anitescu, "A Convex Complementarity Approach for Simulating Large Granular Flows," J. Comput. Nonlinear Dynam., vol. 5, no. 3, 2010, pp. 031004 (10 pages). Also Preprint ANL/MCS-P1592-0309 March 2009. [pdf]

B. Norris, A. Hartono, E. Jessup, and J. Siek, "Generating Empirically Optimized Composed Matrix Kernels from MATLAB Prototypes," Proceedings of the 9th International Conference on Computational Science: Part I, Baton Rouge, LA, USA, Springer-Verlag, 1969, pp. 248-258. Also Preprint ANL/MCS-P1581-0209 February 2009. [pdf]

L. Li, J. P. Kenny, M.-S. Wu, K. Huck, A. Gaenko, M. S. Gordon, C. L. Janssen, L. C. McInnes, H. M. Netzloff, B. Norris, T. L. Windus, "Adaptive Application Composition in Quantum Chemistry," Proceedings of the 5th International Conference on the Quality of Software Architectures: Architectures for Adaptive Software Systems, East Stroudsburg, PA, USA, Springer-Verlag, 2009, pp. 194-211. Also Preprint ANL/MCS-P1575-0209 February 2009. [pdf]

M. M. Strout, N. Osheim, D. Rostron, P. D. Hovland, and A. Pothen, "Evaluation of Hierarchical Mesh Reorderings," Computational Science, ICCS 2009, vol. 5544, Springer Berlin/Heidelberg, 1969, pp. 540-549. Also Preprint ANL/MCS-P1578-0209 February 2009. [pdf]

I. Safro, P. Hovland, J. Shin, and M. Strout, "Improving Random Walk Performance," Preprint ANL/MCS-P1585-0209 February 2009. [pdf]

V. M. Zavala, E. M. Constantinescu, T. Krause, and M. Anitescu, "Weather Forecast-Based Optimization of Integrated Energy Systems," Technical Memorandum ANL/MCS-TM-305 February 2009. [pdf]

O. Roderick and I. Safro, "Polynomial Interpolation for Predicting Decisions and Recovering Missing Data," Preprint ANL/MCS-P1586-0209 February 2009. [pdf]

E. M. Constantinescu and A. Sandu, "Optimal Explicit Strong-Stability-Preserving General Linear Methods," SIAM J. Sci. Comput., vol. 32, 2010, pp. 3130-3150. Also Preprint ANL/MCS-P1584-0209 February 2009. [pdf]

O. Roderick and I. Safro, "Learning of Highly-Filtered Data Manifold Using Spectral Methods," Preprint ANL/MCS-P1586-0209 February 2009. [pdf]

V. M. Zavala, M. Anitescu, and T. Krause, "On the Optimal On-Line Management of Photovoltaic-Hydrogen Hybrid Energy Systems," Preprint ANL/MCS-P1569-0109 January 2009. [pdf]

E. Constantinescu and A. Sandu, "Explicit Time Stepping Methods with High Stage Order and Monotonicity Properties," Preprint ANL/MCS-P1576-0109 January 2009. [pdf]

E. Constantinescu and A. Sandu, "Optimal Explicit Strong-Stability-Preserving General Linear Methods: Complete Results," Technical Memorandum ANL/MCS-TM-304 January 2009. [pdf]

C. Chevalier and I. Safro, "Comparison of Coarsening Schemes for Multilevel Graph Partitioning," Preprint ANL/MCS-P1563-1208 December 2008. [pdf]

Q. Li, M. C. Ferris, and T. Munson, "Linear Algebra Enhancements to the PATH Solver," Preprint ANL/MCS-P1565-1208 December 2008. [pdf]

D. W. Cranston and P. D. Hovland, "Colorings for Efficient Derivative Computation on Grids with Periodic Boundaries," Preprint ANL/MCS-P1557-1108 November 2008. [pdf]

D. Ron, I. Safro, and A. Brandt, "A Fast Multigrid Algorithm for Energy Minimization under Planar Density Constraints," SIAM Multiscale Modeling and Simulations, vol. 8, no. 5, 2010, pp. 1599-1620. Also Preprint ANL/MCS-P1560-1108 November 2008. [pdf]

J. N. Lyness and J. W. Lottes, "Asymptotic Expansions for Oscillatory Integrals Using Inverse Functions," BIT, vol. 49, no. 2, 2009, pp. 397-417. Also Preprint ANL/MCS-P1568-1108 November 2008. [pdf]

E. M. Constantinescu, "On the Order of General Linear Methods," Preprint ANL/MCS-P1555-1008 October 2008. [pdf]

A. Hartono, B. Norris, and P. Sadayappan, "Annotation-Based Empirical Performance Tuning Using Orio," Preprint ANL/MCS-P1556-1008 October 2008. [pdf]

V. Bui, B. Norris, K. Huck, L. C. McInnes, L. Li, O. Hernandez, and B. Chapman, "A Component Infrastructure for Performance and Power Modeling of Parallel Scientific Applications," Preprint ANL/MCS-P1538-0908 September 2008. [pdf]

M. Anitescu and S. Park, "Short Communication: A Linear Programming Approach for the Least-Squares Protein Morphing Problem," Preprint ANL/MCS-P1542-0908 September 2008. [pdf]

K. Schmitt, M. Anitescu, and D. Negrut, "Efficient Sampling for Spatial Uncertainty Quantification in Multibody System Dynamics Applications," Int. J. Numer. Meth. Engng, vol. 80, no. 5, 1969, pp. 537-564. Also Preprint ANL/MCS-P1539-0908 September 2008. [pdf]

H. G. Kaper, S. Wang, and M. Yari, "Dynamical Transitions of Turing Patterns," Preprint ANL/MCS-P1540-0908 September 2008. [pdf]

X. Zeng, M. Anitescu, C. Pereira, and M. Regalbuto, "A Framework for Chemical Plant Safety Assessment under Uncertainty," Studies Inform. Control, vol. 18, no. 1, 2009, pp. 7-20. Also Preprint ANL/MCS-P1546-0908 September 2008. [pdf]

D. A. Hanson, Y. Kryukov, S. Leyffer, and T. S. Munson, "Optimal Control Model of Technology Transition," vol. 33, no. 3, 2010, pp. 154-175. Also Preprint ANL/MCS-P1544-0908 September 2008. [pdf]

K. A. Huck, O. Hernandez, V. Bui, S. Chandrasekaran, B. Chapman, A. D. Malony, L. C. McInnes, and B. Norris, "Capturing Performance Knowledge for Automated Analysis," Preprint ANL/MCS-P1532-0808 August 2008. [pdf]

D. K. Kaushik, W. D. Gropp, M. Minkoff, and B. F. Smith, "Improving the performance of tensor matrix vector multiplication in cumulative reaction probability based quantum chemistry codes," Preprint ANL/MCS-P1533-0808 August 2008. [pdf]

J. Utke, L. Hascoet, C. Hill, P. Hovland, and U. Naumann, "Toward Adjoinable MPI," Preprint ANL/MCS-P1530-0808 August 2008. [pdf]

J. Chame, C. Chen, J. Dongarra, M. Hall, J. K. Hollingsworth, P. Hovland, S. Moore, K. Seymour, J. Shin, A. Tiwari, S. Williams, H. You, and D. H. Bailey, "PERI Auto-Tuning," Preprint ANL/MCS-P1517-0708 July 2008. [pdf]

E. G. Boman, D. Bozdag, U. V. Catalyurek, K. D. Devine, A. H. Gebremedhin, P. D. Hovland, and A. Pothen, "Combinatorial Algorithms for Computational Science and Engineering," Preprint ANL/MCS-P1518-0708 July 2008. [pdf]

J. F. Amundson, D. Dechow, L. McInnes, B. Norris, P. Spentzouris, and P. Stoltz, "Multiscale, Multiphysics Beam Dynamics Framework Design and Applications," Preprint ANL/MCS-P1519-0708 July 2008. [pdf]

T. Dahlgren, D. Bernholdt, L. C. McInnes, "Gaining Confidence in Scientific Applications through Executable Interface Contracts," Preprint ANL/MCS-P1521-0708 July 2008. [pdf]

P. Fischer, J. Lottes, D. Pointer, and A. Siegel, "Petascale Algorithms for Reactor Hydrodynamics," Preprint ANL/MCS-P1524-0708 July 2008. [pdf]

P. Spentzouris, J. Cary, L. C. McInnes, W. Mori, C. Ng, E. Ng, and R. Ryne, "Community Petascale Project for Accelerator Science and Simulation: Advancing Computational Science for Future Accelerators and Accelerator Technologies," Preprint ANL/MCS-P1525-0708 July 2008. [pdf]

J. R. Cary, J. Candy, R. H. Cohen, S. Krasheninnikov, D. C. McCune, D. J. Estep, J. Larson, A. D. Malony, A. Pankin, P. H. Worley, J. A. Carlsson, A. H. Hakim, P. Hamill, S. Kruger, M. Miah, S. Muzsala, A. Pletzer, S. Shasharina, D. Wade-Stein, N. Wang, S. Balay, L. McInnes, H. Zhang, T. Casper, L. Diachin, T. Epperly, T. D. Indireshkumar, D. Stotler, and A. Yu Pigarov, "First Results from Core-Edge Parallel Composition in the FACETS Project," Preprint ANL/MCS-P1526-0708 July 2008. [pdf]

M. Anitescu and A. Tasora, "An Iterative Approach for Cone Complementarity Problems for Nonsmooth Dynamics," Comput. Optimization Appl., vol. 47, no. 2, 2010, pp. 207-235. Also Preprint ANL/MCS-P1413-0507 July 2008. [pdf]

P. F. Fischer, G. K. Leaf, and J. M. Restrepo, "Influence of Torque on the Lift and Drag of a Particle in an Oscillatory Flow," Preprint ANL/MCS-P1506-0608 June 2008. [pdf]

K. Schmitt, J. Madsen, M. Anitescu, and D. Negrut, "A Gaussian Process-Based Approach for Handling Uncertainty in Vehicle Dynamics Simulation," Preprint ANL/MCS-P1505-0608 June 2008. [pdf]

C. Petra, B. Gavrea, M. Anitescu, and F. Potra, "A Computational Study of the Use of an Optimization-Based Method for Simulating Large Multibody Systems," Preprint ANL/MCS-P1495-0508 May 2008. [pdf]

A. Tasora, D. Negrut, and M. Anitescu, "Large-Scale Parallel Multibody Dynamics with Frictional Contact on the Graphical Processing Unit," Preprint ANL/MCS-P1494-0508 May 2008. [pdf]

S. Park, A. Y. Lau, and B. Roux, "Computing Conformational Free Energy by Deactivated Morphing," Preprint ANL/MCS-P1492-0408 April 2008. [pdf]

K. Abhishek, S. Leyffer, and J. T. Linderoth, "FilMINT: An Outer-Approximation-Based Solver for Nonlinear Mixed Integer Programs," Preprint ANL/MCS-P1374-0906 April 2008. [pdf]

A. Tasora and M. Anitescu, "A Fast NCP Sovler for Large Rigid-Body Problems with Contacts, Friction, and Joints," Preprint ANL/MCS-P1476-0108 January 2008. [pdf]

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

D. Negrut, M. Anitescu, A. El-Azab, P. Zapol, "Quasicontinuum-like Reduction of DFT Calculations of Nanostructures," J. Nanosci. Nanotechnol., vol. 8, 2008, pp. 3729-3740. Also Preprint ANL/MCS-P1384-1206 December 2006. [pdf]

B. I. Gavrea, M. Anitescu, and F. A. Potra, "Convergence of a Class of Semi-implicit Time-stepping Schemes for Nonsmooth Rigid Multibody Dynamics," SIAM J. on Optimization, vol. 19, no. 2, 2008, pp. 969-1001. Also Preprint ANL/MCS-P1378-1006 October 2006. [pdf]

R. Fletcher, S. Leyffer, and P. Toint, "A Brief History of Filter Methods," SIAG/OPT Views-and-News, vol. 18, no. 1, 2007, pp. 2-12. Also Preprint ANL/MCS-P1372-0906 September 2006. [pdf]

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

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

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

S. Bhowmick and P. Hovland, "A Polynomial Time Algorithm for the Detection of Axial Symmetry in Directed Acyclic Graphs," 2006. Also Preprint ANL/MCS-P1314-0106 January 2006. [pdf]

J. M. Schopf, I. Raicu, L. Pearlman, N. Miller, C. Kesselman, I. Foster, M. D, "Monitoring and Discovery in a Web Services Framework: Functionality and Performance of Globus Toolkit MDS4," 2006. Also Preprint ANL/MCS-P1315-0106 January 2006. [pdf]

M. Anitescu, D. Negrut, P. Zapol, A. El-Azab, "A Note on the Regularity of Reduced Models Obtained by Quasi-continuum-like Approaches," Preprint ANL/MCS-P1303-1105 November 2005. [pdf]

M. G. Knepley and D. A. Karpeev, "Flexible Representation of Computational Meshes," Preprint ANL/MCS-P1295-1005 October 2005. [pdf]

S. Leyffer, "A Complementarity Constraint Formulation of Convex Multiobjective Optimization Problems," INFORMS J. on Computing, vol. 21, no. 2, 2009, pp. 257-267. Also Preprint ANL/MCS-P1290-0905 September 2005. [pdf]

S. Leyffer, "The Return of the Active Set Method," Preprint ANL/MCS-P1277-0805 August 2005. [pdf]

D. Negrut, R. Rampalli, G. Ottarsson, A. Sajdak, "On the use of the HHT Method in the Context of Index 3 Differential Algebraic Equations of Multibody Dynamics," Preprint ANL/MCS-P1278-0805 August 2005. [pdf]

S. Bhowmick, D. Kaushik, L. McInnes, B. Norris, P. Raghavan, "Parallel Adaptive Solvers in Compressible PETSc-FUN3D Simulations," Preprint ANL/MCS-P1279-0805 August 2005. [pdf]

H. Zhang, B. Smith, M. Sternberg, and P. Zapol, "SIPs: Shift-and-Invert Parallel Spectral Transformations," ACM TOMS, vol. 33, no. 2, ACM, 2005. Also Preprint ANL/MCS-P1263-0605 June 2005. [pdf]

P. D. Hovland, B. Norris, M. M. Strout, S. Bhowmick, and J. Utke, "Sensitivity Analysis and Design Optimization through Automatic Differentiation," Preprint ANL/MCS-P1264-0605 June 2005. [pdf]

W. Gropp and R. Thakur, "An Evaluation of Implementation Options for MPI One-Sided Communication," Preprint ANL/MCS-P1266-0605 June 2005. [pdf]

M. Anitescu and W. J. Layton, "Sensitivities in Large Eddy Simulation and Improved Estimates of Turbulent Flow Functionals," SIAM J. Sci. Comput., vol. 29, no. 4, Society for Industrial and Applied Mathematics, 2005, pp. 1650-1667. Also Preprint ANL/MCS-P1251-0505 May 2005. [pdf]

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

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

D. Rosenberg, A. Fournier, P. Fischer, and N. Pouquet, "Geophysical-Astrophysical Spectral-Element Adaptive Refinement (GASpAR): Object-oriented h-adaptive code for geophysical fluid dynamics simulation," 2005. Also Preprint ANL/MCS-P1245-0405 April 2005. [pdf]

M. Anitescu, "Mathematical Programs with Equilibrium Constraints and Applications to Control," Preprint ANL/MCS-P1247-0405 April 2005. [pdf]

L. F. Diachin, P. Knupp, T. Munson, and S. Shontz, "A Comparison of Two Optimization Methods for Mesh Quality Improvement," Preprint ANL/MCS-P1239-0305 March 2005. [pdf]

U. Naumann and J. Utke, "Source Templates for the Automatic Generation of Adjoint Code through Static Call Graph Reversal," Preprint ANL/MCS-P1226-0205 February 2005. [pdf]

J. Utke, U. Naumann, M. Fagan, N. Tallent, M. Strout, P. Heimbach, C. Hill, and C. Wunsch, "OpenAD/F: A Modular, Open-Source Tool for Automatic Differentiation of Fortran Codes," 2005. Also Preprint ANL/MCS-P1230-0205 February 2005. [pdf]

R. Thakur, W. Gropp, B. Toonen, "Optimizing the Synchronization Operations in MPI One-Sided Communication," Preprint ANL/MCS-P1232-0205 February 2005. [pdf]

M. M. Strout, B. Kreaseck, and P. Hovland, "Data-Flow Analysis for MPI Programs," Preprint ANL/MCS-P1220-0105 January 2005. [pdf]

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

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

S. Leyffer, G. Lopez-Calva, and J. Nocedal, "Interior Methods for Mathematical Programs with Complementarity Constraints," Preprint ANL/MCS-P1211-1204 December 2004. [pdf]

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-P1212-1204 December 2004. [pdf]

J. M. Schopf and S. J. Newhouse, "State of Grid Users: 25 Conversations with UK eScience Groups," Technical Memorandum ANL/MCS-TM-278 October 2004. [pdf]

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," Preprint ANL/MCS-P1202-1004 October 2004. [pdf]

U. Naumann and J. Utke, "Optimality-Preserving Elimination of Linearities in Jacobian Accumulation," Preprint ANL/MCS-P1194-0904 September 2004. [pdf]

J. Utke, "Flattening Basic Blocks," Preprint ANL/MCS-P1196-0904 September 2004. [pdf]

Y. K. Kuan, P. F. Fischer, F. Loth, "Surface Reconstruction of In Vivo Geometry Base on Medical Images using Multilevel Radial Basis Functions," Preprint ANL/MCS-P1210-0904 September 2004. [pdf]

R. Padmanabhan, W. McCune, "Tarski Theorems on Self-Dual Equational Bases for Groups," Preprint ANL/MCS-P1092-0903 August 2004. [pdf]

B. Addis and S. Leyffer, "A Trust-Region Algorithm for Global Optimization," Preprint ANL/MCS-P1190-0804 August 2004. [pdf]

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. [pdf]

R. Padmanabhan, W. McCune, R. Veroff, "Levi's Commutator Theorems for Cancellative Semigroups," Semigroup Forum, vol. 71, 2004, pp. 152-157. Also Preprint ANL/MCS-P1192-0804 August 2004. [pdf]

M. M. Strout and P. D. Hovland, "Metrics and Models for Reordering Transformations," Preprint ANL/MCS-P1167-0604 June 2004. [pdf]

C. E. Frouzakis, A. G. Tomboulides, P. Papas, P. F. Fischer, R. M. Rais, P. A. Monkewitz, and K. Boulouchos, , "Three-Dimensional Numerical Simulations of Cellular Jet Diffusion Flames," Proc. 30th International Symposium on Combustion, Chicago, July 25-30, 1969. Also Preprint ANL/MCS-P1173-0604 June 2004. [pdf]

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

J. N. Lyness, "A Prototype Four-Dimensional Galerkin-Type Integral," RIMS, vol. 41, no. 4, 2004, pp. 843-851. Also Preprint ANL/MCS-P1186-0604 June 2004. [pdf]

E. D. Dolan, J. J. More', and T. S. Munson,, "Optimality Measures for Performance Profiles," SIAM J. Optimization, vol. 16, no. 3, Society for Industrial and Applied Mathematics, 2004, pp. 891-909. Also Argonne Report ANL/MCS-P1155-0504 May 2004. [pdf]

R. Thakur, W. Gropp, and B. Toonen, "Minimizing Synchronization Overhead in the Implementation of MPI One-Sided Communication," Preprint ANL/MCS-P1158-0504 May 2004. [pdf]

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. [pdf]

M. Anitescu, "Optimization-Based Simulation of Nonsmooth Rigid Multibody Dynamics," Preprint ANL/MCS-P1161-0504 May 2004. [pdf]

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. [pdf]

W. Jiang, J. Liu, H.-W. Jin, D. K. Panda, D. Buntinas, R. Thakur, W. Gropp, "Efficient Implementation of MPI-2 Passive One-Sided Communication on InfiniBand Clusters," Preprint ANL/MCS-P1164-0504 May 2004. [pdf]

J. Utke, "OpenAD: Algorithm Implementation User Guide," Technical Memorandum ANL/MCS-TM-274 April 2004. [pdf]

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. [pdf]

U. Naumann, J. Utke, A. Lyons, and M. Fagan, "Control Flow Reversal for Adjoint Code Generation," Preprint ANL/MCS-P1145-0404 April 2004. [pdf]

J. P. Kenny, S .J. Benson, Y. Alexeev, J. Sarich, C. L. Janssen, L. C. McInnes, M. Krishnan, J. Nieplocha, E. Jurruss, C. Fahlstrom, T. L. Windus, "Component-Based Integration of Chemistry and Optimization Software," J. Comput. Chem, vol. 25, no. 14, 2004, pp. 1717-1725. Also Preprint ANL/MCS-P1148-0404 April 2004. [pdf]

S. L. Lee and P. D. Hovland, "Derivative Techniques for Forward Sensitivity Analysis in Time-Dependent Problems," Preprint ANL/MCS-P1153-0404 April 2004. [pdf]

J. Peng, M. Anitescu, and S. Akella, "Optimal Control of Multiple Robot Systems with Friction using MPCC," Preprint ANL/MCS-P1157-0404 April 2004. [pdf]

T. Munson, "An Averaging Method for Nash Games with Shared Decision Variables," Preprint ANL/MCS-P1134-0304 March 2004. [pdf]

T. Munson, "Mesh Shape-Quality Optimization Using the Inverse Mean-Ratio Metric," Preprint ANL/MCS-P1136-0304 March 2004. [pdf]

R. Thakur, R. Rabenseifner, and W. Gropp, "Optimization of Collective Communication Operations in MPICH," Preprint ANL/MCS-P1140-0304 March 2004. [pdf]

G. von Laszewski, J. Gawor, P. Plaszczak, M. Hategan, K. Amin, R. Madduri, S. Gose, S. Shankar, "An Overview of Grid File Transfer Patterns and Their Implementation in the Java CoG Kit," J. Neural Parallel and Scientific Computations, vol. 12, no. 3, Dynamic Publisher, Atlanta, GA, 2004, pp. 329-352. Also Preprint ANL/MCS-P1126-1203 February 2004. [pdf]

R. Al-Ali, G. von Laszewski, K. Amin, M. Hategan, O. Rana, D. Walker, N. Zaluzec, "QoS Support for High-Performance Scientific Grid Applications," Preprint ANL/MCS-P1129-0204 February 2004. [pdf]

E. D. Dolan, J. J. More', and T. S. Munson, "Benchmarking Optimization Software with COPS 3.0," Technical Memorandum ANL/MCS-TM-273 February 2004. [pdf]

X. Zhang and J. M. Schopf, "Performance Analysis of the Globus Toolkit Monitoring and Discovery Service," Preprint ANL/MCS-P1115-0104 January 2004. [pdf]

M. Grimsditch, L. Giovannini, F. Montoncello, F. Nizzoli, G. K. Leaf, H. G. Kaper, "Normal Modes in Ferromagnetic Nanoparticles: A Dynamical Matrix Approach," Preprint ANL/MCS-P1116-0104 January 2004. [pdf]

W. Jiang, J. Liu, H.-W. Jin, D. K. Panda, W. Gropp, and R. Thakur, "High Performance MPI-2 One-Sided Communication over InfiniBand," Preprint ANL/MCS-P1119-0104 January 2004. [pdf]

S. Benson, L. C. McInnes, J. J. More', "TAO Users Manual," Technical Memorandum ANL/MCS-TM-242 November 2003. [pdf]

U. Naumann and J. Utke, "Reduction of Edge Labeled DAGs through Constant Folding," Preprint ANL/MCS-P1073-0803 September 2003. [pdf]

S. Leyffer, "The Penalty Interior-Point Method Fails to Converge," Preprint ANL/MCS-P1091-0903 September 2003. [pdf]

S. J. Benson and T. S. Munson, "Flexible Complementarity Solvers for Large-Scale Applications," Optimization Methods & Software, vol. 21, no. 1, 2003, pp. 155-168. Also Preprint ANL/MCS-P1055-0603 June 2003. [pdf]

M. Grimsditch, G. K. Leaf, H. G. Kaper, D. A. Karpeev, R. E. Camley, "Normal Modes of Spin Excitations in Magnetic Nano-Particles," Preprint ANL/MCS-P1049-0503 May 2003. [pdf]

A. Zagaris, H. G. Kaper, and T. J. Kaper, "Analysis of the Computational Singular Perturbation Reduction Method for Chemical Kinetics," Journal of Nonlinear Science, vol. 14, no. 1, 2003, pp. 59-91. Also Preprint ANL/MCS-P1050-0503 May 2003. [pdf]

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

M. Anitescu, "A Fixed Time-Step Approach for Multibody Dynamics with Contact and Friction," Preprint ANL/MCS-P1034-0303 March 2003. [pdf]

S. Leyffer, "Mathematical Programs with Complementarity Constraints," Preprint ANL/MCS-P1026-0203 February 2003. [pdf]

R. Thakur and W. Gropp, "Improving the Performance of MPI Collective Communication on Switched Networks," Preprint ANL/MCS-P1007-1102 November 2002. [pdf]

E. D. Dolan and J. J. More', "Benchmarking Optimization Software with Performance Profiles," Preprint ANL/MCS-P861-1200 January 2001. [pdf]