Some papers are available through our server; if you have trouble downloading any of these papers, please make sure that your email address is entered in your web browser's preferences. If you still have trouble downloading a paper, please contact Brian Simpson, bms at mit.edu. You can also access the papers through the Digital Object Identifier links provided that you have subscription to the journals they have been published in.
"Parametric Mixed 0-1 Linear Programming: the General Case for a Single Parameter", European Journal of Operational Research, 194(3): 663-668, (2009), (with A. Mitsos). http://dx.doi.org/10.1016/j.ejor.2008.01.007
"Global Solution of Bilevel Programs with a Nonconvex Inner Program", Journal of Global Optimization, 42(4): 475-513, (2008), (with A. Mitsos and P. Lemonidis). http://dx.doi.org/10.1007/s10898-007-9260-z
"Optimal Automatic Reaction and Species Elimination in Kinetic Mechanisms", Combustion and Flame, 155(1-2): 118-132, (2008), (with A. Mitsos, G.M. Oxberry, and W.H. Green). http://dx.doi.org/10.1016/j.combustflame.2008.03.004
"Refined Electrolyte-NRTL Model: Activity Coefficient Expressions for Application to Multi-Electrolyte Systems", AIChE Journal, 54(6): 1608-1624, (2008), (with G.M. Bollas and C.C. Chen). http://dx.doi.org/10.1002/aic.11485
"Designing man-portable power generation systems for varying power demand", AIChE Journal, 54(5): 1254-1269, (2008), (with M. Yunt, B. Chachuat, and A. Mitsos). http://dx.doi.org/10.1002/aic.11442
"Global Optimization Of Linear Hybrid Systems With Varying Transition Times", SIAM Journal on Control and Optimization, 47(2): 791-816, (2008), (with C.K. Lee). http://dx.doi.org/10.1137/050625539
"Relaxation-Based Bounds for Semi-Infinite Programs", SIAM Journal on Optimization, 19(1): 77-113, (2008), (with A. Mitsos, P. Lemonidis, and C.K. Lee). http://dx.doi.org/10.1137/060674685
"A Short-Term Operational Planning Model for Natural Gas Production Systems", AIChE Journal, 54(2): 495-515, (2008), (with A. Selot, L.K. Kuok, M. Robinson, and T.L. Mason). http://dx.doi.org/10.1002/aic.11385
"Numerical Simulation of a Class of PDAEs with a Separation of Time Scales", In L.L. Bonilla, M. Moscoso, G. Platero, and J.M. Vega, editors, Mathematics in Industry, 12: 512-517, Springer, 2008, (with B. Chachuat). http://dx.doi.org/10.1007/978-3-540-71992-2_80
"The Per2 Negative Feedback Loop Sets the Period in the Mammalian Circadian Clock Mechanism", PLoS Computational Biology, 3(12): 2476-2486, (2007), (with A.K. Wilkins and B. Tidor). http://dx.doi.org/10.1371/journal.pcbi.003024
"Methodology for the Design of Man-Portable Power Generation Devices", Industrial & Engineering Chemistry Research, 46(22): 7164-7176, (2007), (with A. Mitsos and B. Chachuat). http://dx.doi.org/10.1021/ie070586z
"A Dual Extremum Principle in Thermodynamics", AIChE Journal, 53(8): 2131-2147, (2007), (with A. Mitsos). http://dx.doi.org/10.1002/aic.11230
"What is the design objective for portable power generation: Efficiency or energy density?", Journal of Power Sources, 164(2): 678-687, (2007), (with A. Mitsos and B. Chachuat). http://dx.doi.org/10.1016/j.jpowsour.2006.10.088
"Obtaining accurate solutions using reduced chemical kinetic models: a new model reduction method for models rigorously validated over ranges", Combustion Theory and Modelling, 11(1): 127-146, (2007), (with O.O. Oluwole and W.H. Green, Jr.). http://dx.doi.org/10.1080/13647830600924601
"Global Methods for Dynamic Optimization and Mixed-Integer Dynamic Optimization", Industrial Engineering Chemistry Research, 45(25):8373-8392, (2006), (with B. Chachuat and A.B. Singer). http://dx.doi.org/10.1021/ie0601605
"Biological network design strategies: discovery through dynamic optimization", Molecular BioSystems, 2(12):650-659, (2006), (with B.S. Adiwijaya and B. Tidor). http://dx.doi.org/10.1039/b610090b
"Optimization of Hybrid Systems", Computers Chem. Engng., 30(10/12):1576-1589, (2006), (with C.K. Lee and M. Yunt). http://dx.doi.org/10.1016/j.compchemeng.2006.05.024
"Rigorous Valid Ranges for Optimally Reduced Kinetic Models", Combustion and Flame, 146(1-2):348-365, 2006, (with O.O. Oluwole, B. Bhattacharjee, J.E. Tolsma, W.H. Green, Jr.). http://dx.doi.org/10.1016/j.combustflame.2006.02.009
"Bounding the Solutions of Parameter Dependent Nonlinear Ordinary Differential Equations", SIAM Journal on Scientific Computing, 27(6):2167-2182, 2006. (with A.B. Singer). Copyright SIAM 2006, posted with permission. http://dx.doi.org/10.1137/040604388
"Global Optimization with Nonlinear Ordinary Differential Equations", Journal of Global Optimization, 34(2):159-190, 2006. (with A.B. Singer) http://dx.doi.org/10.1007/s10898-005-7074-4
"Global Dynamic Optimization for Parameter Estimation in Chemical Kinetics", Journal of Physical Chemistry A, 110(3):971-976, 2006. (with A.B. Singer, J.W. Taylor and W.H. Green Jr.) http://dx.doi.org/10.1021/jp0548873
"Application of Targeted Automatic Differentiation to Large Scale Dynamic Optimization", In: H Martin Bücker, George F. Corliss, Paul Hovland, Uwe Naumann and Boyana Norris, editors, Automatic Differentiation: Applications, Theory, and Implementations, Lecture Notes in Computational Science and Engineering, 50:235-248, Springer, New York, 2006 (ISBN: 3-540-28403-6).(with D.B. Özyurt).
"Global Mixed Integer Dynamic Optimization", AIChE Journal, 51(8):2235-2253, 2005 (with B. Chachuat and A.B. Singer). http://dx.doi.org/10.1002/aic.10494
"Product Engineering for Man-portable Power Generation Based on Fuel Cells", AIChE Journal,51(8):2199-2219, 2005, (with A. Mitsos and M.M. Hencke). http://dx.doi.org/10.1002/aic.10456
"Global Solution of Semi-infinite Programs", Mathematical Programming, Series B, 103(2):283-307, 2005, (with B. Bhattacharjee, P. Lemonidis and W.H. Green Jr). http://dx.doi.org/10.1007/s10107-005-0583-6
"Cheap Second Order Directional Derivatives of Stiff ODE Embedded Functionals", SIAM Journal on Scientific Computing, 26(5):1725--1743, 2005, (with D.B. Özyurt). Copyright SIAM 2005, posted with permission. http://dx.doi.org/10.1137/030601582
"Global Optimization of Linear Hybrid Systems with Varying Time Events", International Journal of Software Engineering and Knowledge Engineering, 15(2):467-472, 2005, (with C.K. Lee). http://dx.doi.org/10.1142/S0218194005001938
"Optimal Design and Steady-state Operation of Micro Power Generation Employing Fuel Cells", Chemical Engineering Science, 60(16):4535-4556, 2005, (with B. Chachuat and A. Mitsos). http://dx.doi.org/10.1016/j.ces.2005.02.053
"Large-Scale Dynamic Optimization Using the Directional Second Order Adjoint Method", Industrial & Engineering Chemistry Research, 44(6):1804-1811, 2005, (with D.B. Özyurt). http://dx.doi.org/10.1021/ie0494061
"Interval Methods for Semi-infinite Programs", Computational Optimization and Applications, 30(1):63-93, 2005, (with B. Bhattacharjee and W.H. Green, Jr.). http://dx.doi.org/10.1007/s10589-005-4556-8
"Global Solution of Optimization Problems with Parameter-Embedded Linear Dynamic Systems", Journal of Optimization Theory and Applications, 121(3):613-646, 2004, (with A.B. Singer) http://dx.doi.org/10.1023/B:JOTA.0000037606.79050.a7
"Outer Approximation Algorithms for Separable Nonconvex Mixed-Integer Nonlinear Programs", Mathematical Programming, Series A, 100(3):517-535, 2004, (with P. Kesavan, R.J. Allgor and E.P. Gatzke). http://dx.doi.org/10.1007/s10107-004-0503-1
"Design of Process Operations using Hybrid Dynamic Optimization", Computers chem. Engng., 28(6-7):955-969, 2004, (with C.K. Lee). http://dx.doi.org/10.1016/j.compchemeng.2003.09.015
"Global Optimization of Linear Hybrid Systems with Explicit Transitions", Systems & Control Letters, 51(5):363-375, 2004, (with C.K. Lee and A.B. Singer). http://dx.doi.org/10.1016/j.sysconle.2003.09.005
"Alternatives for Micropower Generation Processes", Industrial & Engineering Chemistry Research, 43(1):74-84, 2004, (with A. Mitsos and I. Palou-Rivera). http://dx.doi.org/10.1021/ie0304917
"Optimally-Reduced Kinetic Models: Reaction Elimination in Large-Scale Kinetic Mechanisms", Combustion and Flame, 135(3):191-208, 2003, (with B. Bhattacharjee, D.A. Schwer and W.H. Green, Jr.). http://dx.doi.org/10.1016/S0010-2180(03)00159-7
"Global Dynamic Optimization of Linear Time Varying Hybrid Systems", Dynamics of Continuous Discrete and Impulsive Systems - Series B, S: 153-158, 2003, (with C.K. Lee).
"Modeling, Simulation, Sensitivity Analysis and Optimization of Hybrid Systems", ACM Transactions on Modeling and Computer Simulation, 12(4):256-289, 2002, (with C.K. Lee). http://doi.acm.org/10.1145/643120.643122
"Index and Characteristic Analysis of Linear PDAE Systems", SIAM Journal on Scientific Computing, 24(3):905-923, 2002, (with W.S. Martinson). Copyright SIAM 2002, posted with permission. http://dx.doi.org/10.1137/S1064827599363411
"Numerical Solvers", In: Bertrand Braunschweig and Rafiqul Gani, editors, Software Architectures for Computer Aided Process Engineering, pp. 127-164, Elsevier, (2002), (with J.E. Tolsma).
"On Inconsistent Initial Conditions for Linear Time-Invariant Differential-Algebraic Equations", IEEE Transactions on Circuits and Systems - I. Fundamental Theory and Applications, 49(11):1646-1648, 2002, (with G. Reiszig and H. Boche). http://dx.doi.org/10.1109/TCSI.2002.804552
"Construction of Convex Function Relaxations Using Automated Code Generation Techniques", Optimization & Engineering, 3(3):305-326, 2002 (with E.P. Gatzke and J.E. Tolsma). http://dx.doi.org/10.1023/A:1021095211251
"Symbolic Incorporation of External Procedures into Process Modeling Environments", Industrial & Engineering Chemistry Research, 41(16):3867-3876, (2002), (with J.E. Tolsma and J.A. Clabaugh). http://dx.doi.org/10.1021/ie0107946
"Hidden Discontinuities and Parametric Sensitivity Analysis", SIAM Journal on Scientific Computing, 23(6):1861-1874, (2002), (with J.E. Tolsma). Copyright SIAM 2002, posted with permission. http://dx.doi.org/10.1137/S106482750037281X
"On Upgrading the Numerics in Combustion Chemistry Codes", Combustion and Flame, 128(3):270-291, (2002), (with D.A. Schwer, J.E. Tolsma and W.H. Green, Jr.). http://dx.doi.org/10.1016/S0010-2180(01)00352-2
"Computer-Construction of Detailed Chemical Kinetic Models for Gas-Phase Reactors", Industrial & Engineering Chemistry Research, 40(23):5362-5370 , (2001), (with W.H. Green, Jr., B. Bhattacharjee, D.M. Matheu, D.A. Schwer, J. Song, R. Sumanthi, H.H. Carstensen, A.M. Dean and J.M. Grenda). http://dx.doi.org/10.1021/ie001088s
"Distributed Models in Plantwide Dynamic Simulators", AIChE Journal, 47(6):1372-1386, (2001), (with W. S. Martinson). http://dx.doi.org/10.1002/aic.690470614
"Pollution Prevention with a Middle Vessel Column", In: Process Design Tools for the Environment, M. El-Halwagi and S. Sikdar, editors, 219-245, Taylor and Francis, (2001), (with W. Cheong).
"Solvent Recovery Opportunities in the Pharmaceutical Industry", Current Opinion in Drug Discovery & Development, 3(6):707-713, (2000).
"Optimization of Hybrid Discrete/Continuous Dynamic Systems", Computers chem. Engng., 24(9/10):2171-2182, (2000), (with S. Galan and J. R. Banga). http://dx.doi.org/10.1016/S0098-1354(00)00586-X
"Modeling, Simulation and Sensitivity Analysis of Hybrid Systems", Proceedings of the 2000 IEEE International Symposium on Computer-Aided Control System Design, Copyright IEEE Control Systems Society 2000, posted with permission.
"No Connection Between the AREA Criterion and Phase Stability has been Established", Industrial & Engineering Chemistry Research, 39(9):3398, ( 2000), (with C. Hwang). http://dx.doi.org/10.1021/ie001100g
"Optimal Operation Processes of Discrete Continuous Biochemical Processes", Computers chem. Engng., 24(2/7):1167-1173, (2000), (with E. Chekhova and A. Gorak). http://dx.doi.org/10.1016/S0098-1354(00)00350-1
"Generalized Branch-and-Cut Framework for Mixed-integer Nonlinear Optimization Problems", Computers chem. Engng., 24(2/7):1361-1366, (2000), (with P. Kesavan). http://dx.doi.org/10.1016/S0098-1354(00)00421-X
"Decomposition Algorithms for Nonconvex Mixed-Integer Nonlinear Programs", AIChE Symposium Series, 96(323):458-461, (2000), (with P. Kesavan).
"DAEPACK: An Open Modeling Environment for Legacy Models", Industrial & Engineering Chemistry Research, 39(6):1826-1839, (2000), (with J. E. Tolsma). http://dx.doi.org/10.1021/ie990734o
"Formal Verification of Sequencing Operations", Computers chem. Engng., 23(11/12):1783-1793, (2000), (with T. Park). http://dx.doi.org/10.1016/S0098-1354(99)00327-0
"Differential-Algebraic Equations of Index 1 may have an Arbitrarily High Structural Index", SIAM Journal on Scientific Computing, 21(6):1987-1990, (2000), (with G. Reiszig and W. Martinson). Copyright SIAM 2000, posted with permission. http://dx.doi.org/10.1137/S1064827599353853
"Computation of Heteroazeotropes. I: Theory", Chem. Engng. Sci., 55(18):3817-3834, (2000), (with J. E. Tolsma). http://dx.doi.org/10.1016/S0009-2509(00)00032-4
"Computation of Heteroazeotropes. II: Efficient Calculation of Changes in Phase Equilibrium Structure", Chem. Engng. Sci., 55(18):3835-3853, (2000), (with J. E. Tolsma). http://dx.doi.org/10.1016/S0009-2509(00)00033-6
"A Differentiation Index for Partial Differential-Algebraic Equations", SIAM Journal on Scientific Computing, 21(6):2295-2315, (2000), (with W. S. Martinson). Copyright SIAM 2000, posted with permission.
"Process-wide Integration of Solvent Mixtures", Computers chem. Engng., 23(10):1365-1380, (1999), (with B. S. Ahmad). http://dx.doi.org/10.1016/S0098-1354(99)00298-7
"A Dynamic Rate-based Model for Multicomponent Batch Distillation", AIChE Journal, 45(9):1953-1962, (1999), (with L. U. Kreul and A. Gorak). http://dx.doi.org/10.1002/aic.690450912
"Screening Models for Batch Process Development. I. Design Targets for Reaction/Distillation Networks", Chem. Engng. Sci., 54(19):4145-4164, (1999), (with R. J. Allgor and L. B. Evans). http://dx.doi.org/10.1016/S0009-2509(99)00150-5
"Screening Models for Batch Process Development. II. Case Studies", Chem. Engng. Sci., 54(18):4065-4087, (1999), (with R. J. Allgor). http://dx.doi.org/10.1016/S0009-2509(99)00151-7
"Efficient Calculation of Sparse Jacobians", SIAM Journal on Scientific Computing, 20(6):2282-2296, (1999), (with J. E. Tolsma). Copyright SIAM 1999, posted with permission. http://dx.doi.org/10.1137/S1064827597316552
"Parametric Sensitivity Functions for Hybrid Discrete/Continuous Systems", Applied Numerical Mathematics, 31(1):17-48, (1999), (with S. Galan and W. F. Feehery). http://dx.doi.org/10.1016/S0168-9274(98)00125-1
"Dynamic Optimization with Equality Path Constraints", Industrial & Engineering Chemistry Research, 38(6):2350-2363, (1999), (w ith W. Feehery). http://dx.doi.org/10.1021/ie9807093
"Mixed Integer Dynamic Optimization I: Problem Formulation", Computers chem. Engng., 23(4/5):567-584, (1999), (with R. J. Allgor). http://dx.doi.org/10.1016/S0098-1354(98)00294-4
"Azeotropic Distillation in a Middle Vessel Batch Column. 1. Model Formulation and Linear Separation Boundaries", Industrial & Engineering Chemistry Research, 38(4):1504-1530, (1999), (with W. Cheong). http://dx.doi.org/10.1021/ie980469r
"Azeotropic Distillation in a Middle Vessel Batch Column. 2. Nonlinear Separation Boundaries", Industrial & Engineering Chemistry Research, 38(4):1531-1548, (1999), (with W. Cheong). http://dx.doi.org/10.1021/ie980470q
"Azeotropic Distillation in a Middle Vessel Batch Column. 3. Model Validation", Industrial & Engineering Chemistry Research, 38(4):1549-1564, (1999), (with W. Cheong). http://dx.doi.org/10.1021/ie980471i
"Solvent Recovery Targeting", AIChE Journal, 45(2):335-349, (1999), (with B. S. Ahmad). http://dx.doi.org/10.1002/aic.690450214
"Modeling of Homogeneous Reactive Separation Processes in Packed Columns", Chem. Engng. Sci., 54(1):19-34, (1999), (with L. U. Kreul and A. Gorak). http://dx.doi.org/10.1016/S0009-2509(98)00239-5
"Dynamic Optimization with State Variable Path Constraints", Computers chem. Engng., 22(9):1241-1256, (1998), (with W. F. Feehery). http://dx.doi.org/10.1016/S0098-1354(98)00012-X
"Thermal Stability Analysis via Elucidation of Hazardous Reaction Stoichiometries", Computers chem. Engng., 22(6):735-745, (1998), (with C. Bruneton and C. Hoff). http://dx.doi.org/10.1016/S0098-1354(97)00256-1
"Computation of Heteroazeotropes", Computers chem. Engng., 22(S):S61-S68, (1998), (with J. E. Tolsma). http://dx.doi.org/10.1016/S0098-1354(98)00039-8
"Dynamic Catalytic Distillation: Advanced Simulation and Experimental Validation", Computers chem. Engng., 22(S):S371-S378, (1998), (with L. U. Kreul, A. Gorak, and C. Dittrich). http://dx.doi.org/10.1016/S0098-1354(98)00077-5
"Dynamic Optimization of Hybrid Systems", Computers chem. Engng., 22(S):S183-S190, (1998), (with S. Galan). http://dx.doi.org/10.1016/S0098-1354(98)00053-2
"Product Sequences in Azeotropic Batch Distillation", AIChE Journal, 44(5):1051-1070, (1998), (with B. S. Ahmad and Y. Zhang). http://dx.doi.org/10.1002/aic.690440506
"On Computational Differentiation", Computers chem. Engng., 22(4/5):475-490, (1998), (with J. E. Tolsma). http://dx.doi.org/10.1016/S0098-1354(97)00264-0
"Dynamic Optimization in a Discontinuous World", Industrial & Engineering Chemistry Research, 37(3):966-981, (1998), (with R. J.Allgor, W. F. Feehery, and S. Galan). http://dx.doi.org/10.1021/ie970738y
"Analysis and Control of Combined Discrete/Continuous Systems: Progress and Challenges in the Chemical Process Industries", AIChE Symposium Series, 93(316):102-114, (1997), (with T. Park).
"Efficient Sensitivity Analysis of Large-Scale Differential-Algebraic Systems", Applied Numerical Mathematics, 25(1):41-54, (1997), (with W. F. Feehery and J. E. Tolsma). http://dx.doi.org/10.1016/S0168-9274(97)00050-0
"Implicit Model Checking of Logic Based Control Systems", AIChE Journal, 43(9):2246-2260, (1997), (with T. Park). http://dx.doi.org/10.1002/aic.690430911
"Mixed Integer Dynamic Optimization", Computers chem. Engng., 21(S):S451-S456, (1997), (with R. J. Allgor). http://dx.doi.org/10.1016/S0098-1354(97)87543-6
"Computer Aided Identification of Chemical Reaction Hazards", Computers chem. Engng., 21(S):S311-S317, (1997), (with C. Bruneton and C. Hoff). http://dx.doi.org/10.1016/S0098-1354(97)87520-5
"Binary Logic Diagrams Imply Nonunique Functionality", ISA Transactions, 35:337-343, (1996), (with T. Park). http://dx.doi.org/10.1016/S0019-0578(96)00045-6
"A Differentiation-Based Approach to Dynamic Simulation and Optimization with High-Index Differential-Algebraic Equations", Computational Differentiation, M. Berz, C. Bischof, G. Corliss, and A. Griewank editors, SIAM, (1996), (with W. Feehery).
"Homogeneous Multicomponent Azeotropic Batch Distillation", AIChE Journal, 40(12):3419-3433, (1996), (with B. Ahmad). http://dx.doi.org/10.1002/aic.690421212
"Dynamic Simulation and Optimization with Inequality Path Constraints", Computers chem. Engng., 20(S):S707-S712, (1996), (with W. Feehery). http://dx.doi.org/10.1016/0098-1354(96)00127-5
"Optimal Batch Process Development", Computers chem. Engng., 20(6/7):885-896, (1996), (with R. J. Allgor, M. D. Barrera, and L. B. Evans). http://dx.doi.org/10.1016/0098-1354(95)00185-9
"State Event Location in Differential-Algebraic Models", ACM Transactions on Modelling and Computer Simulation, 6(2):137-165, (1996), (with T. Park). 459k Encapsulated PostScript. Illustrations - 311k Encapsulated PostScript. http://doi.acm.org/10.1145/232807.232809
"Solvent Recovery Targeting for Pollution Prevention in Pharmaceutical and Specialty Chemical Manufacturing", AIChE Symposium Series, 90(303):59-73, (1994), (with B. Ahmad).
"The Modelling of Combined Discrete/Continuous Processes", AIChE Journal , 40:966-979, (1994), (with C.C. Pantelides). http://dx.doi.org/10.1002/aic.690400608
"Batch Process Simulation Why and How", Proceedings of AspenWorld94, (1994).
"Deterministic and Stochastic Simulation of Batch/Semicontinuous Processes", Computers chem. Engng., 18:S343-S347, (1994), (with R. Watzdorf, U. Naf and C.C. Pantelides). http://dx.doi.org/10.1016/0098-1354(94)80057-X
"gPROMS - a Combined Discrete/Continuous Modelling Environment for Chemical Processing Systems", Simulation Series, 25(3):25-34, (1993), (with C. C. Pantelides).
"Equation-Oriented Dynamic Simulation - Current Status and Future Perspectives", Computers chem. Engng., 17(S):S263-S285, (1993), (with C.C. Pantelides). http://dx.doi.org/10.1016/0098-1354(93)80240-N
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Web site last updated by Brian Simpson (bms at mit dot edu), July 14, 2008.