Journal Articles

2026

Shapiro, A. J.; O'Halloran, R. C.; Tavares, D.; Huynh, D.; Han, S.; Shi, R.; Gupta, Y.; O'Dea, R. M.; Haney, S. G.; Otsuka, Y.; et al. Forest residue harvest optimization: spanning the bridge between plant biology and biorefinery performance. Green Chem. 2026. DOI: https://doi.org/10.1039/d6gc01047d
Chen G., Hernández, B., Koybasi H., Ku, C.E., Wu T., Bhowmick A., Vlachos D., Zhang C. Ierapetritou M., Liu D. Sustainable and economical propylene production using a vacuum-driven carbon membrane reactor. Chem Circularity, 2026, https://doi.org/10.1016/j.checir.2026.100113
Wen C.M., Papoutsakis, E., Ierapetritou, M. Techno-Economic and Life Cycle Assessment of Mixotrophic Bio-Isopropanol Production. Computers & Chemical Engineering, 2026 10.1016/j.compchemeng.2026.109821
Wen C.M., Ierapetritou, M. From Engineering Knowledge to Engineering Decisions: The Emerging Role of Large Language Models in Process Systems Engineering. Computers & Chemical Engineering. 2026. 10.1016/j.compchemeng.2026.109792
Wen C.M., Ierapetritou, M. An agent-based simulation and optimization framework for resource allocation decisions in bio-based isopropanol supply chain. Computers & Chemical Engineering, 2026, 213, 10.1016/j.compchemeng.2026.109724.
Zhifei, Y., Shi R., & Ierapetritou, M. Mathematical programming approaches to supply chain optimization under uncertainty: a review. Current Opinion in Chemical Engineering. 2026. https://doi.org/10.1016/j.coche.2025.101207
Chen, Y., Castilla-Acevedo, S., Auer, B., Allgeier, A., & Ierapetritou, M. From Biomass to Adipic Acid: Techno-Economic and Life-Cycle Assessments of 2,5-Furandicarboxylic Acid Conversion by Hydrogenation and Ring-Opening Hydrogenolysis. ACS Sustainable Chem. Eng. 2026. https://pubs.acs.org/doi/10.1021/acssuschemeng.5c14037.
Malinov, N., Barodiya, S., Ierapetritou, M., & Papoutsakis E. Pseudo Perfusion of Chinese Hamster Ovary (CHO) Cells as a Reliable Platform for Data Generation to Model and Guide Continuous Perfusion Biomanufacturing. Biotechnology and Bioengineering0: 1–14. https://doi.org/10.1002/bit.70190.
Hernández, B., Luo, Y., Vlachos, D., & Ierapetritou, M. Techno-Economic and Life Cycle Assessment of Chemical Recycling and Upcycling of Mixed Plastics Waste Containing Poly-vinyl-chloride. ACS Sustainable Chemistry & Engineering, 2026, 10.1021/acssuschemeng.5c09893.

2025

Huynh, D.; Enszer, J. A.; Ierapetritou, M.; Work-in-Progress: Integration of MATLAB Live Scripts and Simulink for Teaching Chemical Process Control. Paper presented at ASEE Annual Conference & Exposition, 2025. DOI: https://doi.org/10.18260/1-2--57536
Hernández, B.; Karaiskakis, A. N.; Huynh, D.; Ierapetritou, M. Comparative evaluation of decarbonization policies for food waste management with anaerobic digestion. Journal of Cleaner Production 2025, 503, 145405. DOI: https://doi.org/10.1016/j.jclepro.2025.145405
Chen, Y., Huynh D., Favis C., Lobo R., Ierapetritou M. A superstructure-based optimization model for Polyethylene furandicarboxylate production. AIChE Journal, 2025, e70079, https://doi.org/10.1002/aic.70079
Wen C.M., Papoutsakis E, Ierapetritou M. Optimization-based framework with flux balance analysis (FBA) and metabolic pathway analysis (MPA) for identifying metabolic objective functions. PLOS Computational Biology, 2025, 21(10): e1013635. https://doi.org/10.1371/journal.pcbi.1013635
Mittal, A., Ierapetritou, M., & Vlachos, D. G. Joule-heating materials for advanced chemical manufacturing. Chemical Engineering Journal, 2025, 166348, https://doi.org/10.1016/j.cej.2025.166348
Wen, C. M.; Ierapetritou, M. Improving life cycle assessment consistency for biomass-derived processes: A case study on triacetic acid lactone production with CO2 recycling. Computers & Chemical Engineering, 2025, 201, 109244, https://doi.org/10.1016/j.compchemeng.2025.109244
Yuliu, Z.; Luo, Y.; Ierapetritou, M. Design of plastic waste chemical recycling process considering uncertainty. Computers & Chemical Engineering, 2025, 199, 109128, https://doi.org/10.1016/j.compchemeng.2025.109128
Chen, Y.; Lobo, R.F.; Ierapetritou, M. An Integrated Biorefinery Model for Optimized 2-Vinylfuran Production. AIChE Journal, 2025, e18839, https://doi.org/10.1002/aic.18839
Badejo, O.; Ierapetritou, M. Optimization of pharmaceutical supply chains: Navigating disruptions and operational uncertainty utilizing risk measures. AIChE Journal, 2025, e18770. http://doi.org/10.1002/aic.18770
Badejo, O.; Hernández, B.; Ierapetritou, M. Design of the Transition for Sustainable Plastic Waste Management under Carbon Policies in the United States. Industrial & Engineering Chemistry Research, 2025, 64, 10, 5476–5492. https://doi.org/10.1021/acs.iecr.4c03942
Reddy, J. V.; Singh, S. K.; Leibiger, T.; Lee, K. H.; Ierapetritou, M.; Papoutsakis, E. T. Flux balance analysis and peptide mapping elucidate the impact of bioreactor pH on Chinese hamster ovary (CHO) cell metabolism and N-linked glycosylation in the fab and Fc regions of the produced IgG. Metabolic Engineering, 2025, 87, 37-48. https://doi.org/10.1016/j.ymben.2024.11.005
Wen, C.M.; Ierapetritou, M. Topology-informed derivative-free metaheuristic optimization method. Computers & Chemical Engineering, 2025 194, 108973. https://doi.org/10.1016/j.compchemeng.2024.108973

2024

Reddy, J. V.; Leibiger, T.; Singh, S. K.; Lee, K.; Papoutsakis, E.; Ierapetritou, M. A novel, site-specific N-linked glycosylation model provides mechanistic insights into the process-condition dependent distinct Fab and Fc glycosylation of an IgG1 monoclonal antibody produced in CHO VRC01 Cells. Biotechnology and Bioengineering, 2024. https://doi.org/10.1002/bit.28916
Nixon, K. D.; Schyns, Z. O.; Luo, Y.; Ierapetritou, M. G.; Vlachos, D. G.; Korley, L. T.; Epps, III, T. H. Analyses of circular solutions for advanced plastics waste recycling. Nature Chemical Engineering, 2024, 1-12. https://doi.org/10.1038/s44286-024-00121-6
Ding, C.; Kujawa, M.; Bartkovsky, M.; Qadan, M.; Ierapetritou, M. Application of Flowsheet Modeling for Scheduling and Debottlenecking Analysis to Support the Development and Scale-up of a Plasma-Derived Therapeutic Protein Purification Process. Biochemical Engineering Journal, 2024, 109501. https://doi.org/10.1016/j.bej.2024.109501
Wen, C. M.; Ierapetritou, M. Optimization of sustainable supply chain for bio-based isopropanol production from sugar beet using techno-economic and life cycle analysis. Computers & Chemical Engineering, 2024 191, 108836. https://doi.org/10.1016/j.compchemeng.2024.108836
Huynh, D. T.; Ierapetritou, M. Integrated Ex-Ante Life Cycle Assessment and Techno-Economic Analysis of Biomass Conversion Technologies Featuring Evolving Environmental Policies. 2024. LAPSE:2024.1604. https://doi.org/10.69997/sct.127765
Wen, C. M.; Foster, C.; Ierapetritou, M. Exploring Net-Zero Greenhouse Gas Emission Routes for Bio-Production of Triacetic Acid Lactone: An Evaluation through Techno-Economic Analysis and Life Cycle Assessment. 2024. LAPSE:2024.1628. https://doi.org/10.69997/sct.182968
Raudenbush, K.; Malinov, N.; Reddy, J. V.; Ding, C.; Tian, H.; Ierapetritou, M. Towards the Development of Digital Twin for Pharmaceutical Manufacturing. 2024. LAPSE:2024.1510. https://doi.org/10.69997/sct.135296
Huynh, D.; Ierapetritou, M. Biorefinery superstructure optimization under carbon pricing policies using stochastic programming. Applied Energy, 2024, 376, 124283. https://doi.org/10.1016/j.apenergy.2024.124283
Mittal, A.; Ierapetritou, M.; Vlachos, D. G. Computational Insights into Steady-State and Dynamic Joule-Heated Reactors. Reaction Chemistry & Engineering, 2024, 9, 2380-2392. https://doi.org/10.1039/D4RE00114A
Yuliu, Z.; Luo, Y.; Ierapetritou, M. Design of Plastic Waste Chemical Recycling Process Considering Uncertainty. 2024. LAPSE:2024.1532. https://doi.org/10.69997/sct.126108
Hernández, B.; Vlachos, D. G.; Ierapetritou, M. Superstructure optimization for management of low-density polyethylene plastic waste. Green Chemistry, 2024. https://doi.org/10.1039/D4GC00339J
Malinov, N. G.; Raudenbush-Henderson, K.; Ding, C.; Reddy, J. V.; Ierapetritou, M. End-to-end process flowsheet modeling for biopharmaceutical production: current state and future potential. Current Opinion in Chemical Engineering, 2024, 45, 101044. https://doi.org/10.1016/j.coche.2024.101044
Wen, C. M.; Foster, C.; van Winden, W.; Ierapetritou, M. Toward Net-Zero Greenhouse Gas Emission: Techno–Economic and Life Cycle Analyses of Routes for Triacetic Acid Lactone (TAL) Bioproduction. ACS Sustainable Chemistry & Engineering, 2024, 12 (33), 12430-12445. https://doi.org/10.1021/acssuschemeng.4c03349
Luo, Y.; Ierapetritou M. Design and operation of modular biorefinery supply chain under uncertainty using generalized Benders decomposition. AIChE Journal, 2024, 70(8), e18458. https://doi.org/10.1002/aic.18458
Goculdas, T.; Yuliu, Z.; Sadula, S.; Zheng, W.; Nanduri, A.; Saha, B.; Ierapetritou, M.; Vlachos, D. G. Process intensified lauric acid self-ketonization and its economic and environmental impact on biolubricant base oil production. Green Chemistry, 2024, https://doi.org/10.1039/D4GC01721H
Badejo, O.; Ierapetritou, M. Enhancing pharmaceutical supply chain resilience: A multi-objective study with disruption management. Computers & Chemical Engineering, 2024, 188, 108769, https://doi.org/10.1016/j.compchemeng.2024.108769
Bhalode, P.; Razavi, S.; Tian, H.; Roman-Ospino, A.; Scicolone, J.; Callegari, G.; Dubey, A.; Koolivand, A.; Krull, S.; Connor, T.; Muzzio, F.; Ierapetritou, M. Statistical data treatment for residence time distribution studies in pharmaceutical manufacturing. International Journal of Pharmaceutics, 2024, 657, 124133
Luo, Y.; Ierapetritou, M. Design and operation of modular biorefinery supply chain under uncertainty using generalized Benders decomposition. AIChE Journal, 2024, e18458.
Vance, B., Yuliu, Z., Najmi, S., Selvam, E., Granite, J., Yu, K., Ierapetritou, M., Vlachos, D. Unlocking naphtha from polyolefins using Ni-based hydrocracking catalysts. Chemical Engineering Journal, 2024, 487, 150468.
Wang, Z., Luo, Y., Srinivasan, P., Wang, Y., Chen, T-Y,. Ierapetritou, M., Vlachos, D. Process integration and systems optimization for the hydrodeoxygenation of 5-hydroxymethylfurfural to dimethylfuran. Computers & Chemical Engineering, 2024, 184, 108644.
Ding, C., Ierapetritou, M. Machine Learning-based Optimization of a Multi-Step Ion Exchange Chromatography for Ternary Protein Separation. Computers & Chemical Engineering, 2024, 184, 108642. https://doi.org/10.1016/j.compchemeng.2024.108642
Tian, H., Ierapetritou, M. A surrogate-based framework for feasibility-driven optimization of expensive simulations. AIChE Journal, 2024, https://doi.org/10.1002/aic.18364
Chen, Y., Kuo, M., Lobo, R., Ierapetritou, M. Ethylene production: process design, techno-economic and life-cycle assessments. Green Chemistry, 2024, DOI: 10.1039/D3GC03858K.
Ding, C., Yang, O., Ierapetritou, M. (2024). Towards Digital Twin for Biopharmaceutical Processes: Concept and Progress. In: Pörtner, R. (eds) Biopharmaceutical Manufacturing. Cell Engineering, vol 11. Springer.
Karaiskakis, A.; Hernandez, B.; Ierapetritou, M. Multi-scale assessment of global warming mitigation potential of anaerobic digestion for food waste management in the United States: A comparison of Life Cycle Assessment approaches. Resources, Conservation and Recycling, 2024, 203, 107442.
Geremia, M.; Bezzo, F.; Ierapetritou, M. Design space determination of pharmaceutical processes: Effects of control strategies and uncertainty. European Journal of Pharmaceutics and Biopharmaceutics, 2024, 194, 159-169.
Badejo, O.; Hernandez, B.; Vlachos, D.; Ierapetritou, M. Design of Sustainable Supply Chains for Managing Plastic Waste: A Case Study for Low Density Polyethylene. Sustainable Production and Consumption, 2024, 47, 460-473.

2023

Liu, L.; Bhowmick, A.; Cheng, S.; Hernandez, B.; Pan, Y.; Zhang, J.; Zhang, Y.; Shu, Y.; Tran, D.; Luo, Y.; Ierapetritou, M.; Zhang, C.; Liu, D. Alkane dehydrogenation in scalable and electrifiable carbon membrane reactor. Cell Reports Physical Science, 2023, 101692.
Tian, H.; Jagana, J.S.; Zhang, Q.; Ierapetritou, M. Feasibility/Flexibility-based optimization for process design and operations. Computers & Chemical Engineering, 2024, 180, 108461.
Geremia, M.; Bezzo, F.; Ierapetritou, M. A novel framework for the identification of complex feasible space. Computers & Chemical Engineering, 2023, 179, 108427.
Mittal, A.; Bhattacharyya, S.; Marino, M.; Chen, T.; Desir, P.; Ierapetritou, M.; Vlachos, D. Effect of Scale-Up on Mass Transfer and Flow Patterns in Liquid–Liquid Flows Using Experiments and Computations. Ind. Eng. Chem. Res. 2023.
Reddy, J.; Raudenbush, K.; Papoutsakis, E.; Ierapetritou, M. Cell-culture process optimization via model-based predictions of metabolism and protein glycosylation. Biotechnology Advances, 2023, 108179.
Ding, C.; Gerberich, C.; Ierapetritou, M., Hybrid model development for parameter estimation and process optimization of hydrophobic interaction chromatography. Journal of Chromatography A, 2023, 1703, 464113.
Chen, Y.; Sampat, C.; Huang, Y.; Ganesh, S.; Singh, R.; Ramachandran, R.; Reklaitis, G.; Ierapetritou, M., An integrated data management and informatics framework for continuous drug product manufacturing processes: A case study on two pilot plants. International Journal of Pharmaceutics, 2023, 123086.
Hernández, B.; Kots, P.; Selvam, E.; Vlachos, D.G.; Ierapetritou, M., Techno-Economic and Life Cycle Analyses of Thermochemical Upcycling Technologies of Low-Density Polyethylene Waste. ACS Sustainable Chem. Eng., 2023, 11, 18, 7170–7181.
Selvam, E.; Luo, Y.; Ierapetritou, M.; Lobo, R. F.; Vlachos, D. G., Microwave-assisted depolymerization of PET over heterogeneous catalysts. Catalysis Today 2023, 418, 114124.
Bhalode, P.; Razavi, S.; Roman-Ospino, A.; Scicolone, J.; Callegari, G.; Tian, G.; Koolivand, A.; Kruill, S.; Ierapetritou, M.; Muzzio, F.., Optimal quantification of residence time distribution profiles from a quality assurance perspective, International Journal of Pharmaceutics 634, 2023, 122653.
Luo, Y.; Selvam, E.; Vlachos, D.; Ierapetritou, M., Economic and Environmental Benefits of Modular Microwave-Assisted Polyethylene Terephthalate Depolymerization, ACS Sustainable Chem. Eng. 2023, 11, 10, 4209–4218.
Baldea, M.; Biegler, L., Ierapetritou, M., Editorial for the Festschrift Honoring the Legacy of Babatunde A. Ogunnaike (1956–2022), Ind. Eng. Chem. Res. 2023, 62, 5, 2049-2051.
Badejo, O.; Ierapetritou, M., A mathematical modeling approach for supply chain management under disruption and operational uncertainty AIChE Journal, 2023, 69, e18037.
Luo, Y.; Ierapetritou, M., Multifeedstock and Multiproduct Process Design Using Neural Network Surrogate Flexibility Constraints. Ind. Eng. Chem. Res. 2023, , 62, 5, 2067–2079.

2022

Chen, Y., Kotamarthy, L., Dan, A., Sampat, C., Bhalode, P., Singh, R., Glasser, B., Ramachandran, R., Ierapetritou, M., Optimization of key energy and performance metrics for drug product manufacturing, International Journal of Pharmaceutics, 2022, 122487.
Selvam, E., Kots, P., Hernandez, B., Malhotra, A., Chen, W., Catala-Civerad, J., Santamaria, J., Ierapetritou, M., Vlachos, D., Plastic waste upgrade to olefins via mild slurry microwave pyrolysis over solid acids, Chemical Engineering Journal, 2022, 140332.
Badejo, O., Ierapetritou, M. Mathematical Programming Approach to Optimize Tactical and Operational Supply Chain Decisions under Disruptions, Ind. Eng. Chem. Res. 2022, 61, 45, 16747–16763.
Hernández, B., Vlachos, D., Ierapetritou, M. Coupling Process Intensification and Systems Flowsheeting for Economic and Environmental Analysis of 5-Hydroxymethyl Furfural Modular Microreactor Plants, ACS Sustainable Chemistry & Engineering, 2022, 10, 45, 14955–14971.
Tian, H., Bhalode, P., Razavi, S., Koolivand, A., Muzzio, F., Ierapetritou, M. Characterization and Propagation of RTD Uncertainty for Continuous Powder Blending Processes, International Journal of Pharmaceutics, 2022, 122326.
Ding, C., Ardeshna, H., Gillespie, C., Ierapetritou, M., Process design of a fully integrated continuous biopharmaceutical process using economic and ecological impact assessment, Biotechnology & Bioengineering, 2022, 1-17.
Luo, Y., O'Dea, R., Gupta, Y., Chang, J., Sadula, S., Soh, L., Robbins, A., Levia, D., Vlachos, D., Epps III, T., Ierapetritou, M., A Life Cycle Greenhouse Gas Model of a Yellow Poplar Forest Residue Reductive Catalytic Fractionation Biorefinery, Environmental Engineering Science, 2022, 39.
Chen, Y.; Bhalode, P.; Ierapetritou, M., PSE Tools and Challenges in the Development of Advanced Pharmaceutical Manufacturing, Computer Aided Chemical Engineering, 49, 2022, 21-24.
Luo, Y.; Ierapetritou, M., Uncertainty Evaluation of Biorefinery Supply Chain’s Economic and Environmental Performance Using Stochastic Programming, Computer Aided Chemical Engineering, 49, 2022, 481-486.
Bhalode, P.; Chen, Y.; Ierapetritou, M., Hybrid Modelling Strategies for Continuous Pharmaceutical Manufacturing within Digital Twin Framework, Computer Aided Chemical Engineering, 49, 2022, 2115-2130.
Yang, O.; Ierapetritou, M., Application of PSE Methods on Monoclonal Antibody Productivity Improvement and Quality Control, Computer Aided Chemical Engineering, 49, 2022, 2215-2220.
Sampat, C.; Kotamarthy, L.; Bhalode, P.; Chen, Y.; Dan, A.; Parvani, S.; Dholakia, Z.; Singh, R.; Glasser, B.; Ierapetritou, M., Ramachandran, R., Enabling Energy-Efficient Manufacturing of Pharmaceutical Solid Oral Dosage Forms via Integrated Techno-Economic Analysis and Advanced Process Modeling, Journal of Advanced Manufacturing and Processing, 2022
Luo, Y.; Kuo, M.; Ye, M.; Lobo, R.; Ierapetritou, M. Comparison of 4,4′-Dimethylbiphenyl from Biomass-Derived Furfural and Oil-Based Resource: Technoeconomic Analysis and Life-Cycle Assessment, Industrial & Engineering Chemistry Research, 2022.
Yang, O.; Tao, Y.; Qadan, M.; Ierapetritou, M., Process Design and Comparison for Batch and Continuous Manufacturing of Recombinant Adeno-Associated Virus, Journal of Pharmaceutical Innovation, 2022.
Badejo, O.; Ierapetritou, M., Integrating tactical planning, operational planning and scheduling using data-driven feasibility analysis, Computers & Chemical Engineering, 161, 2022, 107759.
Bhalode, P.; Ierapetritou, M., Multi-zonal compartmentalization methodology for surrogate modeling in continuous pharmaceutical manufacturing, Computer Aided Chemical Engineering, 50, 2021, 725-731.
Luo, Y.; O'Dea, R.; Epps III, T.; Ierapetritou, M., Comparative Study of Different Hybrid Life Cycle Assessment Methodologies Applied to Biomass-based Chemical Production, Computer Aided Chemical Engineering, 50, 2021, 1683-1688.
Batchu, S.P.; Hernandez, B.; Malhotra, A.; Fang, H.; Ierapetritou, M.; Vlachos, D.G., Accelerating manufacturing for biomass conversion via integrated process and bench digitalization: a perspective, Reaction Chemistry & Engineering, 2022.
O'Dea, R.; Pranda, P.; Luo, Y.; Amitrano, A.; Ebikade, E.; Gottlieb, E.; Ajao, O.; Benali, M.; Vlachos, D.; Ierapetritou, M.; Epps III, T., Ambient-pressure lignin valorization to high-performance polymers by intensified reductive catalytic deconstruction, Science Advances, 8, 3, 2022.

2021

Bhalode, P., Tian, H., Gupta, S., Razavi, S.M., Roman-Ospino, A., Talebian, S., Singh, R., Scicolone, J. V., Muzzio, F. J., Ierapetritou, M., Using Residence time distribution in pharmaceutical solid dose manufacturing – a critical review, International Journal of Pharmaceutics, 121248, 2021.
Ding C., Ierapetritou, M., A novel framework of surrogate-based feasibility analysis for establishing design space of twin-column continuous chromatography, International Journal of Pharmaceutics, 609, 121161, 2021, https://doi.org/10.1016/j.ijpharm.2021.121161.
Bhosekar, A., Athaley A., Ierapetritou, M., Multi-objective Modular Biorefinery Configuration under Uncertainty, Industrial & Engineering Chemistry Research, 2021, https://doi.org/10.1021/acs.iecr.1c02110
Furukawa R., Singh R., Ierapetritou, M., Experimental investigation and modelling of tensile strength of pharmaceutical tablets based on shear force applied by feed frame paddle, International Journal of Pharmaceutics, 120908, https://doi.org/10.1016/j.ijpharm.2021.120908
Bhosekar, A., Badejo, O., Ierapetritou, M., Modular Supply chain optimization considering demand uncertainty to manage risk, AIChE Journal, http://doi.org/10.1002/aic.17367
Athaley A., Zhang, Y., Papoutsakis, E. T., Ierapetritou, M., Techno-economic and Life Cycle Analysis of MixAlco Processes for Mixed Alcohol Production from Brown Algae, Applied Biochemistry and Biotechnology, 19, 2021, https://doi.org/10.1007/s12010-021-03578-w
Hsiao, Y., Anastasopoulou, A., Ierapetritou, M., Vlachos D., Cost and Energy Efficient Cyclic Separation of 5-hydroxymethyl Furfural from an Aqueous Solution, Green Chemistry, 2021, https://doi.org/10.1039/D1GC00841B.
Yang, O., Ierapetritou, M., mAb Production Modeling and Design Space Evaluation Including Glycosylation Process, Processes, 9(2), 324, 2021, https://doi.org/10.3390/pr9020324
Bhosekar, A., Ierapetritou, M., A framework for supply chain optimization for modular manufacturing with production feasibility analysis, Computers & Chemical Engineering, 145, 2021,107175, https://doi.org/10.1016/j.compchemeng.2020.107175.
Sadula, S., Quiroz, N.R., Athaley, A., Ebikade, O.E., Ierapetritou, M., Vlachos, D. and Saha, B., One-Step Lignocellulose Depolymerization and Saccharification to High Sugar Yield and Less Condensed Isolated Lignin. Green Chemistry, 23, 1200-1211, 2021, https://doi.org/10.1039/d0gc04119j
Tanimura, S., Singh, R., Román-Ospino, A.D. and Ierapetritou, M., Residence time distribution modeling and in line monitoring of drug concentration in a tablet press feed frame containing dead zones. International Journal of Pharmaceutics, 592, p.120048, 2021, https://doi.org/10.1016/j.ijpharm.2020.120048
Bhalode, P., Ierapetritou, M., Hybrid multi-zonal compartment modeling for continuous powder blending processes, International Journal of Pharmaceutics, 2021, 120643, https://doi.org/10.1016/j.ijpharm.2021.120643.

2020

Dias, L., Ierapetritou, M., 110th Anniversary: Integration of Scheduling and Robust Model Predictive Control. Industrial & Engineering Chemistry Research, 59(1), 265-280, 2020, DOI: 10.1021/acs.iecr.9b02545.
Bhosekar, A., Ierapetritou, M., Modular Design Optimization using Machine Learning-based Flexibility Analysis. Journal of Process Control, 90, 18-34, 2020, https://doi.org/10.1016/j.jprocont.2020.03.014.
Bhalode, P., Ierapetritou, M., Discrete element modeling for continuous powder feeding operation: Calibration and system analyses. International Journal of Pharmaceutics, 585, 2020, https://doi.org/10.1016/j.ijpharm.2020.119427.
Ebikade, E., Athaley, A., Fisher, B., Yang, K., Wu, C., Ierapetritou, M., Vlachos, D., The Future is Garbage: Repurposing of Food Waste to an Integrated Biorefinery. ACS Sustainable Chemistry & Engineering, 8(22), 8124–8136, 2020, https://doi.org/10.1021/acssuschemeng.9b07479.
Bhalode, P., Ierapetritou, M., A review of existing mixing indices in solid-based continuous blending operations, Powder Technology, 2020. https://doi.org/10.1016/j.powtec.2020.06.043
Chen, Y., Ierapetritou, M., A framework of hybrid model development with identification of plant‐model mismatch. AIChE Journal, 2020. https://doi.org/10.1002/aic.16996
Metta, N., Ierapetritou, M., A Computationally Efficient Surrogate-Based Reduction of a Multiscale Comill Process Model, Journal of Pharmaceutical Innovation, 2020, https://doi.org/10.1007/s12247-019-09388-2
Chen, Y., Yang, O., Sampat, C., Bhalode, P., Ramachandran, R., Ierapetritou, M., Digital Twins in Pharmaceutical and Biopharmaceutical Manufacturing: A Literature Review, Processes, 2020, doi:10.3390/pr8091088
Furukawa, R., Singh, R., Ierapetritou, M. Effect of Material Properties on the Residence Time Distribution (RTD) of a Tablet Press Feed Frame. International Journal of Pharmaceutics, 2020, https://doi.org/10.1016/j.ijpharm.2020.119961
Metta, N., Ramachandran, R., Ierapetritou, M., A novel adaptive sampling based methodology for feasible region identification of compute intensive models using artificial neural network. AIChE Journal, 2020, https://doi.org/10.1002/aic.17095
Huang, J., Connor, T., Ahmed, K., Chatterjee, S., Garvin, C., Ghosh, K., Ierapetritou, M., Jeffers, M., Pla, L.D., Lee,S., Lovett, D., Lyngberg,O., Mack, J., McManus, E., Romero-Torres, S., Undey, C., Venkatasubramanian, V, Warman, M., AIChE PD2M Advanced Process Control (APC) Workshop -Moving APC Forward in the Pharmaceutical Industry, Journal of Advanced Manufacturing and Processing, 2020, 10.1002/amp2.10071
Luo, Y., Ierapetritou, M., Comparison between Different Hybrid Life Cycle Assessment Methodologies: A Review and Case Study of Biomass-based pXylene Production. IECR, 2020, https://doi.org/10.1021/acs.iecr.0c04709

2019

Dias, L., Ierapetritou, M., Optimal Operation and Control of Intensified Processes-Challenges and Opportunities. Current Opinion in Chemical Engineering, 25, 82-86, 2019, DOI: https://doi.org/10.1016/j.coche.2018.12.008.
Dias, L., Ierapetritou, M., Data-driven Feasibility Analysis for the Integration of Planning and Scheduling Problems. Optimization and Engineering, 20(4), 1029-1066, 2019, DOI: https://doi.org/10.1007/s11081-019-09459-w.
Athaley, A., Saha,B., Ierapetritou,M., Biomass-Based Chemical Production Using Techno-Economic and Life Cycle Analysis. AIChE Journal, DOI: 10.1002/aic.16660.
Bhalode, P. Ierapetritou, M., Discrete Element Modeling (DEM) Parametric Study of Feeder Unit in Continuous Pharmaceutical Industry. Computer Aided Chemical Engineering, 47, 341-346, 2019, DOI: https://doi.org/10.1016/B978-0-12-818597-1.50054-0.
Bano, G. Facco, P., Ierapetritou, Bezzo, F., Barolo, M., Real-Time Design Space Description in Pharmaceutical Manufacturing. Computer Aided Chemical Engineering, 46, 661-666, 2019, DOI: https://doi.org/10.1016/B978-0-12-818634-3.50111-9.
Bhosekar, A., Ierapetritou, M., A Discontinuous Derivative-Free Optimization Framework for Multi-Enterprise Supply Chain. Optimization Letters, DOI: https://doi.org/10.1007/s11590-019-01446-5.
Bano, G., Facco, P., Ierapetritou,M., Bezzo,F., Barolo,M., Design Space Maintenance by Online Model Adaptation in Pharmaceutical Manufacturing. Computers & Chemical Engineering, 127, 254-271, 2019
Metta, N., R., Ramachandran, Ierapetritou, M. A Computationally Efficient Surrogate-Based Reduction of a Multiscale Comill Process Model. Journal of Pharmaceutical Innovation, DOI: 10.1007/s12247-019-09388-2
Metta, N., Ghijs, M., Schafer, E., Kumar, A., Cappuyns, P., Assche, I.V., Singh, R., Ramachandran, R., De Beer, T., Ierapetritou, M., Nopens, I. Dynamic Flowsheet Model Development and Sensitivity Analysis of a Continuous Pharmaceutical Tablet Manufacturing Process Using the Wet Granulation Route. Processes 7(4), 234, 2019.
Yang, O., Qadam M., Ierapetritou, M. Economic Analysis of Batch and Continuous Biopharmaceutical Antibody Production: a Review. Journal of Pharmaceutical Innovation, DOI: 10.1007/s12247-018-09370-4
Yang, O., Prabhu, S., Ierapetritou, M. A Comparison between Batch and Continuous Monoclonal Antibody Production and Economic Analysis. Industrial Engineering Chemistry Research, 58(15), 5851-5863, DOI:10.1021/acs.iecr.8b04717
Liu, S., Josephson, TR., Athaley, A., Chen, QP., Norton, A., Ierapetritou, M., Siepmann, J.I., Saha, B., Vlachos, D.G. Renewable lubricants with tailored molecular architecture. Science Advances, 5(2), 2019, DOI: 10. 1125/sciadv.aav5487
Escotet-Espinoza, M.S., Moghtadernejad, S., Oka, S., Wang, Z., Wang, Y., Roman-Ospino, A., Schäfer, E., Cappuyns, P., Assche, I.V., Futran, M., Muzzio, F, M., Ierapetritou. Effect of tracer material properties on the residence time distribution (RTD) of continuous powder blending operations. Part II of II: Application of models. Powder Technology, 344,525-544, 2019, DOI: https://doi.org/10.1016/j.powtec.2018.12.051.
Escotet-Espinoza, M.S., Moghtadernejad, S., Oka, S., Wang, Y., Roman-Ospino, A., Schäfer, E., Cappuyns, P., Assche, I.V., Futran, M., Ierapetritou, M., Muzzio, F. Effect of tracer material properties on the residence time distribution (RTD) of continuous powder blending operations. Part I of II: Experimental evaluation. Powder Technology, 342, 744-763, 2019.
Dias, L., M., Ierapetritou. Optimal operation and control of intensified processes - opportunities and challenges. Current Opinion in Chemical Engineering. 25, 82-86, 2019, DOI: 10.1016/j.coche.2018.12.008
Athaley, A., Annam, P., Saha, B., Ierapetritou, M. Techno-economic and life cycle analysis of different types of hydrolysis process for the production of p-Xylene. Computers & Chemical Engineering, 121, 685-695, 2019.
Yang, S., Kiang, S., Farzan, P., Ierapetritou, M. Optimization of reaction selectivity using CFD-based compartmental modeling and surrogate-based optimization. Processes, 7(1), 9, 2019.

2018

Wang, Z., Ierapetritou, M. Global sensitivity, feasibility, and flexibility analysis of continuous pharmaceutical manufacturing processes. Computer Aided Chemical Engineering, 41, 189-213, 2018.
Sampat, C., Bettencourt, F., Baranwal, Y., Paraskevakos, I., Chaturbedi, A., Karkala, S., Jha, S., Ramachandran, R., Ierapetritou, M. A parallel unidirectional coupled DEM-PBM model for the efficient simulation of computationally intensive particulate process systems. Computers & Chemical Engineering, 119, 128-142, 2018.

Escotet-Espinoza, M.S., Moghtadernejad, S., Scicolone, J., Wanh, Y., Pereira, G., Schafer, E., Vigh, T., Klingeleers, D., Ierapetritou, M., Muzzio, F.J. Using a material property library to find surrogate materials for pharmaceutical process development. Powder Technology, DOI: doi.org/10.1016/j.powtec.2018.08.042
Metta, N., Verstraeten, M.,Ghijs, M., Kumar, A., Schafer, E., Singh, R., De Beer, T., Nopens, I., Cappuyns, P., Assche, I., Ierapetritou, M., Ramachandran, R. Model development and prediction of particle size distribution, density and friability of a comilling operation in a continuous pharmaceutical manufacturing process. International Journal of Pharmaceuticals, 549(1-2), 271-282, 2018.
Wang, Z. Ierapetritou, M. Constrained optimization of black-box stochastic systems using a novel feasibility enhanced Kriging-based method. Computers and Chemical Engineering, doi.org/10.1016/j.compchemeng.2018.07.016.
Escotet-Espinoza, M.S., Foster, C.J., Ierapetritou, M. Discrete Element Modeling (DEM) for mixing of cohesive solids in rotating cylinders. Powder Technology, 335, 124-136, 2018.

Farzan, P., Ierapetritou, M.G. A Framework for the Development of Integrated and Computationally Feasible Models of Large-Scale Mammalian Cell Bioreactors. Processes 6 (7), 82, 2018.
Escotet-Esponoza, MS., Vadodaria, S. Muzzio, FJ., Ierapetritou, MG. Modeling the Effects of Material Properties on Tablet Compaction: A building block for controlling both batch and continuous pharmaceutical manufacturing processes. International Journal of Pharmaceutics, 543 (1-2), 274-287, 2018
Cao, H., Mushnoori, S., Higgins, B., Kollipara, C., Fermier, A., Hausner, D., Jha, S., Singh, R., Ierapetritou, M, Ramachandran, R. A Systematic Framework for Data Management and Integration in a Continuous Pharmaceutical Manufacturing Processing Line. Processes, 6(5), 53, 2018.
Dias, L.S., Pattison, R.C., Tsay, C., Baldea, M., Ierapetritou, M.G. A Simulation-based Optimization Framework for Integrating Scheduling and Model Predictive Control, and its Application to Air Separation Units. Computers and Chemical Engineering, 113, 139-151, 2018.
Bano,G., Wang, Z., Facco, P., Bezzo, F., Barolo, M., Ierapetritou, M. A novel and systematic approach to identify the design space of pharmaceutical processes. Computers and Chemical Engineering, 115, 309-322, 2018.
Metta, N., Ierapetritou, M., Ramachandran, R. A multiscale DEM-PBM approach for a continuous comilling process using a mechanistically developed breakage kernel. Chemical Engineering Science 178, 211-221, 2018.

Bhosekar, A. Ierapetritou, M. Advances in surrogate based modeling, feasibility analysis, and optimization: A review. Computers and Chemical Engineering, 108, 250-267, 2018.
Pereira, G.C., Muddu, S.V., Román-Ospino, A.D., Clancy, D., Igne, B., Airiau, C., Muzzio, F.J., Ierapetritou, M., Ramachandran, R., Singh, R. Combined feedforward/feedback control of an integrated continuous granulation process. Journal of Pharmaceutical Innovation, DOI: https://doi.org/10.1007/s12247-018-9347-8
Sampat, C., Baranwal, Y., Paraskevakos, I., Jha, S., Ierapetritou, M., Ramachandran, R. HPC enabled parallel, multi-scale & mechanistic model for high shear granulation using a coupled DEM-PBM framework. Computer Aided Chemical Engineering, 44, 1459-1464, 2018.
Bano, G., Wang, Z., Facco, P., Bezzo, F., Barolo, M., Ierapetritou, M. Dimensionality reduction in feasibility analysis by latent variable modeling. Computer Aided Chemical Engineering, 44, 1477-1482, 2018.
Bhosekar, A., Ierapetritou, M. Space mapping based derivative-free optimization framework for supply chain optimization. Computer Aided Chemical Engineering, 44, 985-990, 2018.
Wang, Z. Ierapetritou, M. Surrogate-based feasibility analysis for black-box stochastic simulations with heteroscedastic noise. Journal of Global Optimization, 71, 957-985, 2018.
Ierapetritou, M. Wang, Z. Modelling and its Applications in Solids-based Continuous Pharmaceutical Manufacturing Processes. Pharma Focus Asia, 2018.

2017

Farzam, P., Ierapetritou, M. Improving Biopharma Productivity through optimal bioreactor operation. Pharma Focus Asia, 2017.
Wang, Z. Escotet-Espinoza, Z. M., Ierapetritou, M. Process analysis and optimization of continuous pharmaceutical manufacturing using flowsheet models. Computers and Chemical Engineering, 107, 77-91, 2017.
Dias, L. S., Ierapetritou, M. G. From process control to supply chain management: An overview of integrated decision making strategies. Computers and Chemical Engineering, 106, 826-835, 2017.
Wang, Z., Ierapetritou, M. A Novel Surrogate-Based Optimization Method for Black-Box Simulation with Heteroscedastic Noise. Industrial & Engineering Chemistry Research 56 (38), 10720-10732, 2017.
Oka, SS, Escotet-Espinoza, MS., Singh, R., Scicolone, JV., Hausner, DB., Ierapetritou, M., Muzzio, FJ. Design of an Integrated Continuous Manufacturing System. Continuous Manufacturing of Pharmaceuticals, 405-446, 2017.
Ierapetritou, M., Escotet-Espinoza, MS, R Singh, R. Process Simulation and Control for Continuous Pharmaceutical Manufacturing of Solid Drug Products. Continuous Manufacturing of Pharmaceuticals, 33-105, 2017.
Boukouvala, F., Muzzio, F.J., Ierapetritou, M.G. Methods and Tools for Design Space Identification in Pharmaceutical Development. Comprehensive Quality by Design for Pharmaceutical Product Development and Manufacture, 95-123, 2017.
Lin, Z. Wang, J. Nikolakis, V. Ierapetritou, M. Process flowsheet optimization of chemicals production from biomass derived glucose solutions. Computers and Chemical Engineering, 102, 258-267, 2017.
Sadula, S. Athaley, A., Zheng, W. Ierapetritou, M. Saha, B. Process intensification for cellulosic biorefineries. CHEMSUCHEM, 10(12), 2566-2572, 2017.
Haas, N. T., Ierapetritou, M., Singh, R. Advanced model predictive feedforward/feedback control of a tablet press. Journal of Pharmaceutical Innovation, 12(2), 110-123, 2017
Farzam, P., Ierapetritou, M.G. Integrated modeling to capture the interaction of physiology and fluid dynamics in biopharmaceutical bioreactors. Computers and Chemical Engineering, 97, 271-282, 2017
Zhao, H. Ierapetritou, M. Shah, N. Rong, G. Integrated model of refining and petrochemical plant for enterprise-wide optimization. Computers and Chemical Engineering, 97, 194-207, 2017
Farzam, P., Biren, M. Ierapetritou, M.G. Review of the important challenges and opportunities related to modeling of mammalian cell bioreactors. Aiche Journal, 63(2), 398-408, 2017
Wang, Z., Ierapetritou, M. A Novel feasibility analysis method for black-box processes using a radial basis function adaptive sampling approach. Aiche Journal, 63(2), 532-550, 2017
Wang, Z., Escotet-Espinoza, MS., Singh, R., Ierapetritou, M. Surrogate-based Optimization for Pharmaceutical Manufacturing Processes. Computer Aided Chemical Engineering 40, 2797-2802, 2017.

2016

Dias, L. S., Ierapetritou, M. G. Integration of scheduling and control under uncertainties: Review and challenges. Chemical Engineering Research and Design, 116, 98-113, 2016.
Román-Ospino, A. D., Singh, R., Ierapetritou, M., Ramachandran, R. Méndez, R., Ortega, C., Muzzio, F. J., Romañach, R. J.(2016). Near infrared spectroscopic calibration models for real time monitoring of powder density. International Journal of Pharmaceutics, 512 (1), 61-74, 2016.
Zhao, H., Ierapetritou, M. G., Rong, G. Production planning optimization of an ethylene plant considering process operation and energy utilization. Computers and Chemical Engineering 87, 1-12, 2016.
Ierapetritou, M. Nihar, S. Decision making across different scales: from process control to supply chain management. Computer Aided Chemical Engineering, 38, 2397-2402, 2016.
Escotet-Espinoza, S., Rogers, A., Ierapetritou, MG. Optimization methodologies for the production of pharmaceutical products. Process Simulation and Data Modeling in Solid Oral Drug Development and Manufacture. Methods in Pharmacology and Toxicology. 281-309, 2016
Singh, R., Velazquez, C., Sahay, A., Ierapetritou, MG., Ramachandran, R. Advanced control of continuous pharmaceutical tablet manufacturing processes. Process Simulation and Data Modeling in Solid Oral Drug Development and Manufacture. Methods in Pharmacology and Toxicology.191-224, 2016
Rogers, A., Ierapetritou, M. G. Mathematical tools for the quantitative definition of a design space. Process Simulation and Data Modeling in Solid Oral Drug Development and Manufacture. Methods in Pharmacology and Toxicology. 225-279, 2016.
Ierapetritou, M., Muzzio, F., Reklaitis, G. Perspectives on the continuous manufacturing of powder-based pharmaceutical processes. Aiche Journal 62 (6), 1846-18862, 2016.
Singh, R., Muzzio, F., Ierapetritou, M., Ramachandran, R. A systematic framework for design and implementation of plant-wide multilayer, sensing and control architecture into continuous pharmaceutical manufacturing plant. Computer Aided Chemical Engineering, 38, 1473-1478, 2016.
Sahay, N. Ierapetritou, M. Multienterprise Supply Chain: Simulation and Optimization. Aiche Journal, 62(9), 3392-3403, 2016.
Zhuge, J., Ierapetritou, M. A decomposition approach for the solution of scheduling including process dynamics of continuous processes. Ind. & Eng. Chem Research 55, 1266-1280, 2016
Dias, L.S., Zhuge, J., Ierapetritou, M. Erratum to “An Integrated Framework for Scheduling and Control Using Fast Model Predictive Control”. Aiche Journal, 62(10), 3822-3823, 2016.
Rao, R; Yang, Q; Orman, MA.; Berthiaume, F; Ierapetritou, MG; Androulakis, IP. Burn trauma disrupts circadian rhythms in rat liver. International Journal of Burns and Trauma. 6(2), 12-25, 2016.
Ierapetritou, M., Ramachandran, R. Process Simulation and Data Modeling in Solid Oral Drug Development and Manufacture Preface. Methods in Pharmacology and Toxicology. V-VI, 2016

2015

Rogers, A., Ierapetritou, M., Feasibility and flexibility analysis of black-box processes Part 1: Surrogate-based feasibility analysis, Chemical Engineering Science, 137, 986-1004, 2015.
Rogers, A., Ierapetritou, M., Feasibility and flexibility analysis of black-box processes Part 2: Surrogate-based flexibility analysis, Chemical Engineering Science, 137, 1005-1013, 2015.
Singh, R., Roman-Ospino, A., Romanach, R., Ierapetritou, M., Ramachandran, R., Real time monitoring of blend bulk density for coupled feed-forward/feed-back control of a continuous direct compaction tablet manufacturing process, International Journal of Pharmaceutics, 495(1), 612-625, 2015.
Rogers, A., Ierapetritou, M. Challenges and opportunities in modeling pharmaceutical manufacturing processes. Computers and Chemical Engineering, 81, 32-39, 2015.
Shah, N., Ierapetritou, M., Lagrangian decomposition approach to scheduling large-scale refinery operations, Computers & Chemical Engineering, 79, 1-29, 2015.
Singh, R., Ierapetritou, M., Muzzio, F., Ramachandran, R. A combined feed-forward/feed-back control system for a QbD based continuous tablet manufacturing process. Processes, 3(2), 339-356, 2015.
Rogers, A., Ierapetritou, M. Modeling and optimization of continuous pharmaceutical manufacturing processes. Computer Aided Chemical Engineering, 37, 85-92, 2015
Singh, R., Muzzio, F., Ierapetritou, M., Ramachandran, R. Plant-wide control of a continuous tablet manufacturing for Quality-by-Design based pharmaceutical manufacturing. Computer Aided Chemical Engineering. 37 , 2177-2182, 2015.
Sahay, N., Ierapetritou, M., Flexibility assessment and risk management in supply chains, AIChE Journal, 61, 4166-4178, 2015.
Lin, Z., Ierapetritou, M., Nikolakis, V., Phthalic anhydride production from hemicellulose solutions: Technoeconomic analysis and life cycle assessment. AIChE Journal, 61, 3708-3718, 2015.
Zhuge, J., Ierapetritou, M., An integrated framework for scheduling and control using fast model predictive control, AIChE Journal, 61, 3304-3319, 2015
Singh, R., Sen, M., Muzzio, F., Ierapetritou, M., Ramachandran, R. Integrated Moving Horizon based Real Time Optimization and Hybrid MPC-PID Control of a Direct Compaction Continuous Tablet Manufacturing Process. Journal of Pharmaceutical Innovation. 10, 233-253, 2015.
Escotet-Espinoza, M. S., Singh, R., Sen, M., O' Connor, T., Lee, S., Chatterjee, S., Ramachandran, R., Ierapetritou, M., Muzzio, F. Flowsheet Models Modernize Pharmaceutical Manufacturing Design and Risk Assessment. Pharmaceutical Technology. 39 , 34-42, 2015.
Shah, N., Sahay, N., Ierapetritou, M. Efficient Decomposition Approach for Large-Scale Refinery Scheduling. Ind. & Eng. Chem. Res. 54, 9964-9991, 2015
Lin, Z., Nikolakis, V., Ierapetritou, M. Life Cycle Assessment of Biobased p-Xylene Production. Industrial & Engineering Chemistry Research, 54(8), 2366-2378, 2015.
Singh, R., Ierapetritou, M., Ramachandran, R. The Scope of PAT in Real-Time Advanced Control of Tablet Quality. European Pharmaceutical Review. 20, 76-80, 2015.

2014

Zhuge, J., Ierapetritou, M. Integration of scheduling and control for batch processes using multi-parametric model predictive control. AIChE Journal. 60, 3169, 2014.
Rogers, A., Ierapetritou, M. Discrete element reduced-order modeling of dynamic particulate systems. AIChE Journal. 60, 3184-3194, 2014.
Sahay, N., Ierapetritou, M., Wassick, J. Synchronous and asynchronous decision making strategies in supply chains. Computers and Chemical Engineering. 71, 116-129, 2014.
Zhang, S., Broadbelt, L., Androulakis, I., Ierapetritou, M. Reactive Flow Simulation Based on the Integration of Automated Mechanism Generation and On-the-Fly Reduction. Energy Fuels. 28, 4801-4811, 2014.
Singh, R., Sahay, A., Karry, K. M., Muzzio, F., Ierapetritou, M., Ramachandran, R. Implementation of an advanced hybrid MPC-PID control system using PAT tools into a direct compaction continuous pharmaceutical tablet manufacturing pilot plant. International Journal of Pharmaceutics. 473(1-2), 38-54, 2014.
Nguyen, N., Mattick, J., Yang, Q., Orman, M., Ierapetritou, M., Berthiaume, F., Androulakis, I. Bioinformatics analysis of transcriptional regulation of circadian genes in rat liver. BMC Bioinformatics. 15:83, 1-14, 2014.
Rogers, A., Inamdar, C., Ierapetritou, M. An Integrated Approach to Simulation of Pharmaceutical Processes for Solid Drug Manufacture. Industrial & Engineering Chemistry Research. 53, 5128-5147, 2014.
Singh, R., Abhishek Sahay, Fernando Muzzio, Ierapetritou, M., Ramachandran, R. A Systematic framework for onsite design and implementation of a control system in a continuous tablet manufacturing process. Computers and Chemical Engineering. 66, 186-200, 2014.
Sahay, N., Ierapetritou, M. Hybrid Simulation Based Optimization Framework for Centralized and Decentralized Supply Chains. Industrial & Engineering Chemistry Research. 53, 3996-4007, 2014.
Boukouvala, F., Ierapetritou, M. Derivative-free optimization for expensive constrained problems using a novel expected improvement objective function. AIChE Journal. 60, 2462-2474, 2014.
Singh, R., Barrasso, D., Chaudhary, A., Sen, M., Ierapetritou, M., Ramachandran, R. Closed-loop feedback control of a continuous pharmaceutical tablet manufacturing process via wet granulation. Journal of Pharmaceutical Innovation. 9, 16-37, 2014.

2013

Lin, Z., Nikolakis, V., Ierapetritou, M. Alternative Approaches for p‑Xylene Production from Starch: Techno-Economic Analysis. Industrial & Engineering Chemistry Research. 53, 10688−10699, 2013.
Muzzio, F., Singh, R., Sahay, A., Oka, S., Ramachandran, R., Ierapetritou, M., Liu, X. Online monitoring, advanced control and operation of robust continuous pharmaceutical tablet manufacturing process. BioPharma Asia. 2, 2013.
Sahay, N., Ierapetritou, M. Supply chain management using an optimization driven simulation approach. AIChE Journal. 59, 4612-4626, 2013.
Rogers, A., Hashemi, A., Ierapetritou, M. Review: Modeling of Particulate Processes for the Continuous Manufacture of Solid-Based Pharmaceutical Dosage Forms. Processes. 1(2), 67-127, 2013.
Sen, M., Rogers, A., Singh, R., Chaudhury, A., John, J., Ierapetritou, M., Ramachandran, R. Flowsheet optimization of an integrated continuous purification-processing pharmaceutical manufacturing operation. Chemical Engineering Science. 102(11), 56-66, 2013.
Ierapetritou, M., Rogers, A., Ramachandran, R., Singh, R., Chaudhury, A., Muzzio, F. Model-predictive design, control and optimization: Applying model-predictive methods and a continuous process-control framework to a continuous tablet-manufacturing process. Pharmaceutical Technology. 37(6), 2013.
Boukouvala, F., Ierapetritou, M. Surrogate-Based Optimization of Expensive Flowsheet Modeling for Continuous Pharmaceutical Manufacturing. Journal of Pharmaceutical Innovation. 8(2), 131-145, 2013.
Gao, Y., Boukouvala, F., Engisch, W., Meng, W., Muzzio, F., Ierapetritou, M. Improving Continuous Powder Blending Performance Using Projection to Latent Structures Regression. Journal of Pharmaceutical Innovation. DOI: 10.1007/s12247-013-9152-3, 2013.
Singh, R., Ierapetritou, M., Ramachandran, R. System-wide hybrid model predictive control of a continuous pharmaceutical tablet manufacturing process via direct compaction. European Journal of Pharmaceutics and Biopharmaceutics. 8(2) 99-110, 2013.
Boukouvala, F., Ierapetritou, M. Reduced-order discrete element method modeling. Chemical Engineering Science. 95, 12-26, 2013.
Triebl, C., Nikolakis,V., Ierapetritou, M. Simulation and economic analysis of 5-hydroxymethylfurfural conversion to 2,5-furandicarboxylic acid. Computers and Chemical Engineering. 52, 26-34, 2013.
Boukouvala, F., Chaudhury, A., Sen, M., Zhou, R., Mioduszewski, L., Ierapetritou, M., Ramachandran, R. Computer-Aided Flowsheet Simulation of a Pharmaceutical Tablet Manufacturing Process Incorporating Wet Granulation. Journal of Pharmaceutical Innovation. 8, 11-27, 2013.
Lin, Z., Nikolakis, V., Ierapetritou, M. Aromatics from lignocellulosic biomass: Economic analysis of the production of p-xylene from 5-hydroxymethylfurfural. AIChE Journal. 59(6) 2079-2087, 2013.
Zhang, S., Androulakis, I.P., Ierapetritou, M.G. A Hybrid Kinetic Mechanism Reduction Scheme based on the On-the-fly Reduction and Quasi-steady-state Approximation. Chemical Engineering Science. 93, 150-162 2013.
Euling, S.Y., White, L.D., Kim, A.S., Sen, B., Wilson, V.W., Keshava, C., Nagalakshmi Keshava, N., Hester, S., Ovacik, M.A., Ierapetritou, M.G., Androulakis, I.P., Gaido, K.W. Use of genomic data in risk assessment case study: II. Evaluation of the dibutyl phthalate toxicogenomic data set. Toxicology and Applied Pharmacology. 271(3), 349-362, 2013.
Mattick, J., Yang, Q., Orman, M.A., Ierapetritou, M.G., Berthiaume, F., Gale, S.C., Androulakis, I.P. Impact of burn priming on immune and metabolic functions of whole Liver in a rat cecal ligation and puncture model. International Journal of Burns and Trauma. 3, 55-65, 2013.
Orman, M.A., Ierapetritou, M.G., Androulakis, I.P.,Berthiaume, F. Effect of Fasting on the Metabolic Response of Liver to Experimental Burn Injury. PLoS ONE. 8(2), e54825 2013.
Gao, Y., Ierapetritou, M.G., and Muzzio, F.J. Determination of the Confidence Interval of the Relative Standard Deviation Using Convolution. Journal of Pharmaceutical Innovation. 8(2), 72-82 2013.
Gao, Y., Muzzio, F.J., and Ierapetritou, M.G. Scale-up strategy for continuous powder blending process. Powder Technology. 235(0), 55-69, 2013.
Ovacik, M.A., Sen, B., Euling S.Y., Gaido, K.W., Ierapetritou, M.G., Androulakis I.P. Pathway modeling of microarray data: A case study of pathway activity changes in the testis following in utero exposure to dibutyl phthalate (DBP). Toxicology and Applied Pharmacology, 271(3), 386-394, 2013.

2012

Dubey, A., Boukouvala, F., Keyvan, G., Hsia, R., Saranteas, K.,Brone, D., Misra, T., Ierapetritou, M., Muzzio, F. Improvement of Tablet Coating Uniformity Using a Quality by Design Approach. AAPS PharmSciTech, AAPS PharmSciTech, 13(1), 231-246, 2012.
Nikolopoulou, A. Ierapetritou, M. Hybrid simulation based optimization approach for supply chain management. Computers and Chemical Engineering. 47, 183-193, 2012.
Zhuge, J. Ierapetritou, M. Integration of Scheduling and Control with Closed Loop Implementation. Industrial & Engineering Chemistry Research. 51, 8550-8565, 2012.
Yang, Q., Orman, M., Ierapetritou, M., Berthiaume, F., Androulakis, I.P. Dynamics of short-term gene expression profiling in liver following thermal injury. Journal of Surgical Research. 176(2), 549-558, 2012.
Yang, Q., Mattick, J.S., Orman, M., Nguyen, N., Ierapetritou, M., Berthiaume, F., Androulakis, I.P. Dynamics of hepatic gene expression profile in a rat cecal ligation and puncture model. Journal of Surgical Research. 176(2), 583-600, 2012.
Orman, M.,Ierapetritou, M., Berthiaume, F., Androulakis, I.P. Long-term dynamic profiling of inflammatory mediators in double-hit burn and sepsis animal models. Cytokine. 58, 307-315, 2012.
Singh R., Ierapetritou, M., Ramachandran R. An engineering study on the enhanced control and operation of continuous manufacturing of pharmaceutical tablets via roller compaction. International Journal of Pharmaceutics. 438,1-2, 307, 2012.
Singh R., Boukouvala F.,Jayjock E.,Ramachandran R.,Ierapetritou M.,Muzzio F., Flexible Multipurpose Continuous Processing: Integration of process flow modeling for continuous processing of pharmaceutical solid dosage forms. Pharmaceutical Processing, 27(6), 20-25, 2012.
Gao Y., Muzzio F., Ierapetritou M.G. Optimizing continuous powder mixing processes using periodic section modeling. Chemical Engineering Science. 80, 70-80, 2012.
Gao Y., Muzzio F., Ierapetritou M.G. A review of the Residence Time Distribution (RTD) applications in solid unit operations Powder Technology. Powder Technology 228, 416–423, 2012.
Nikolopoulou, A., Ierapetritou, M.G. Optimal design of sustainable chemical processes and supply chains: A review. Comp.Chem. Eng. 44, 94-103, 2012.
Boukouvala, F., Niotis, V., Ramachandran, R.,Muzzio F.,Ierapetritou, M.G. An integrated approach for dynamic flowsheet modeling and sensitivity analysis of a continuous tablet manufacturing process. Comp. Chem. Eng. 42, 30-47, 2012.
Mattick, J.,Yang, Q.,Orman, M., Ierapetritou, M.G., Berthiaume, F., Androulakis, I.P. Long-term gene expression profile dynamics following cecal ligation and puncture in the rat. Journal of Surgical Research, 178(1), 431-442, 2012.
Shah, N.K., Ierapetritou, M.G. Integrated production planning and scheduling optimization of multisite, multiproduct process industry. Computers and Chemical Engineering. 37, 214-226, 2012.
He, K., Ierapetritou, M.G., Androulakis, I.P. Exploring Flux Representations of Complex Kinetics Networks. AICHE Journal. 58(2), 553-567, 2012.
Zhang, S., Broadbelt, L., Androulakis, I.P., Ierapetritou, M.G. Comparison of Biodiesel Performance Based on HCCI Engine Simulation Using Detailed Mechanism with On-the-fly Reduction. Energy and Fuels. 26(2), 976-983, 2012.
Orman, M.A., Mattick, J., Androulakis, I.P., Berthiaume,F., Ierapetritou, M.G. Stoichiometry based steady-state hepatic flux analysis: Computational and experimental aspects. Metabolites. 2(1), 268-291, 2012.
Boukouvala, F., Dubey, A., Vanarase, A.,Muzzio F.,Ierapetritou, M.G. Computational approaches for studying the granular dynamics of continuous blending processes,2- Population balance and data-based methods. Macromolecular Materials and Eng. 297(1), 9-19, 2012.
Li, Z., Ierapetritou, M.G. Capacity expansion planning through augmented Lagrangian optimization and scenario decomposition. AIChE Journal, 58(3), 87-8831, 2012.
Orman, M.A.,Androulakis, I.P., Berthiaume,F., Ierapetritou, M.G. Metabolic network analysis of perfused livers under fed and fasted states: Incorporating thermodynamic and futile-cycle-associated regulatory constraints. Journal of Theoretical Biology. 293, 101-110, 2012.
Boukouvala, F., Ierapetritou, M.G. Feasibility analysis of black-box processes using an adaptive sampling kriging-based method. Computers and Chemical Engineering. 36, 358-368, 2012.

2011

Gao, Y., Ierapetritou, M.G., and Muzzio, F.J. Investigation on the effect of blade patterns on continuous solid mixing performance. The Canadian Journal of Chemical Engineering. 89(5), 969, 2011.
Orman, M.A., Berthiaume,F.,Androulakis, I.P., Ierapetritou, M.G. Advanced Stoichiometric Analysis of Metabolic Networks of Mammalian Systems. Critical Reviews in Biomedical Engineering. 39(6), 511, 2011.
Boukouvala, F., Muzzio,F., Ierapetritou, M.G. Dynamic data-driven modeling of pharmaceutical processes. Industrial Engineering and Chemistry Research. 50(11),6743,2011.
Ramachandran,R., Arjunan, J., Chaudhury, A., Ierapetritou, M.G. Model-Based control loop performance assessment of a continuous direct compaction pharmaceutical process. J. Pharm. Innov.6 , 249, 2011.
Nikolopoulou, A., Ierapetritou, M.G. Integration of operation planning and scheduling in supply chain systems: a review. Chapter 1, In: Scheduling problems and solutions, Nova Science Publishers, 2011.
Orman, M.A.,Ierapetritou, M.G., Berthiaume,F., Androulakis I.P. The dynamics of the early inflammatory response in double-hit burn and sepsis animal models. Cytokine. 56(2) , 494, 2011.
Orman, M.A., Nguyen, T.T., Ierapetritou, M.G., Berthiaume,F., Androulakis I.P. Comparison of the cytokine and chemokine dynamics of the early inflammatory response in models of burn injury and infection. Cytokine. 55, 362, 2011.
Orman, M.A.,Ierapetritou, M.G.,Androulakis I.P., Berthiaume,F. Metabolic response of perfused livers to various oxygenation conditions. Biotechnology and Bioengineering. 108(12),2947,2011.
Smith,B., Ierapetritou, M.G. Modeling and optimization of product design and portfolio management interface. Computers and Chemical Engineering. 35 , 2579, 2011.
He, K., I.P. Androulakis, M.G. Ierapetritou. Numerical Investigation of Homogeneous Charge Compression Ignition (HCCI) Combustion with Detailed Chemical Kinetics Using On-the-Fly Reduction. Energy and Fuels. 25(8),3369,2011.
Smith,B., Ierapetritou, M.G. Sensitivity-Based product portfolio and design integration. Industrial Eng. & Chem. Research 50, 3919, 2011.
Dubey, A.,Sarkar, A., Ierapetritou, M.G.,Muzzio F. Computational approaches for studying the granular dynamics of continuous blending processes,1- Dem based methods. Macromolecular Materials and Eng. 296, 290, 2011.
Yang, H., Ierapetritou, M.G., Roth C.M. Analysis of Amino Acid Supplementation Effects on Hepatocyte Cultures Using Flux Balance Analysis. OMICS: A Journal of Integrative Biology. 15 , 449, 2011.
Ovacik, M.A.,Sen, B., Euling S.Y., Gaido, K.W., Ierapetritou, M.G., Androulakis I.P. Pathway modeling of microarray data: A case study of pathway activity changes in the testis following in utero exposure to dibutyl phthalate (DBP). Toxicology and Applied Pharmacology, In Press, doi:10.1016/j.taap.2010.09.008
Orman, M.A., Berthiaume,F.,Androulakis I.P., Ierapetritou, M.G. Pathway analysis of liver metabolism under stressed condition. Journal of Theoretical Biology 272 , 131, 2011.
Shah, N., Li, Z., and M.G. Ierapetritou Petroleum refining operations: key issues, advances and opportunities. Ind. Eng. Chem. Res. 50 , 1161, 2011.
Gao Y.,Vanarase A.U., Muzzio F., Ierapetritou M.G. Characterizing continuous powder mixing using residence time distribution. Chemical Engineering Science. 66 , 417, 2011.
Saharidis, G., Androulakis, I., and Ierapetritou, M.G. Model Building Using Bi-level Optimization. Journal of Global Optimization. 49 , 49, 2011.
Shah,N.and M.G. Ierapetritou Short-term scheduling of a large-scale refinery operations: incorporating logistics. AIChE Journal, 57(6) , 1570, 2011.
Gao Y., Muzzio F., Ierapetritou M.G. Characterization of feeder effects on continuous solid mixing using Fourier series analysis. AIChE Journal, 57(5) , 1144, 2011.

2010

Li, Z., and M.G.Ierapetritou A method for solving the general parametric linear complementarity problem. Annals of Operations Research, 181 , 485, 2010.
Orman, M.A., Arai, K., Yarmush, M.L., Androulakis, I.P., Berthiaume,F., Ierapetritou, M.G. Metabolic flux determination in perfused livers by mass balance analysis: Effect of fasting. Biotechnology and Bioengineering, 107 , 1097, 2010.
He, K., I.P. Androulakis, M.G. Ierapetritou. Incorporation of Detailed Chemical Mechanisms in Reactive Flow Simulations Using Element-Flux Analysis. Ind. Eng. Chem. Res. 49 10471, 2010.
Portillo, P.M., Vanarase A.U., Ingram A., Seville J.K., Ierapetritou, M.G., Muzzio, F.J. Investigation of the effect of impeller rotation rate, powder flow rate, and cohesion on powder flow behavior in a continuous blender using PEPT. Chemical Engineering Science, 65 , 5658, 2010.
Iyer, V.V., Ovacik, M.A., Androulakis, I.P., Roth, C.M., Ierapetritou, M.G. Transcriptional and metabolic flux profiling of triadimefon effects on cultured hepatocytes. Toxicology and Applied Pharmacology, 248, 165, 2010.
Boukouvala, F., Muzzio, F.J., and Ierapetritou, M.G. Design Space of pharmaceutical processes using data-driven-based methods. Journal of Pharmaceutical Innovation, 5 , 119, 2010.
Yang, H., Ierapetritou, M.G., Roth C.M. Effects of amino acid transport limitations on cultured hepatocytes. Biophysical Chemistry, 152 , 89, 2010.
Li, Z., and M.G. Ierapetritou Rolling horizon based planning and scheduling integration with production capacity consideration. Chem. Eng. Science, 65 , 5887, 2010.
Saharidis, G., and M.G. Ierapetritou. Improving benders decomposition using maximum feasible subsystem (MFS) cut generation strategy. Comp. Chem. Eng. 34 , 1237, 2010.
He, K., M.G. Ierapetritou, I.P. Androulakis Integration of on-the-fly kinetic reduction with multidimensional CFD. AIChE J. 56 1305, 2010.
Iyer, V.V., Yang, H., Ierapetritou, M.G., Roth C.M. Effects of Glucose and Insulin Level on HepG2-C3A Cell Metabolism. Biotechnology and Bioengineering, 107 , 347, 2010.
Boukouvala, F., Muzzio, F.J., and Ierapetritou, M.G. Predictive Modeling of Pharmaceutical Processes with Missing and Noisy Data. AIChE Journal. 56 , 2860, 2010.
B. Smith, M.G. Ierapetritou . Integrative Chemical Product Design Strategies: Reflecting Industry Trends and Challenges. Comp. Chem. Eng. 34, 857, 2010.
Li, Z., and M.G. Ierapetritou Production planning and scheduling integration through augmented Lagrangian optimization. Comp. Chem. Eng. 34 , 996, 2010.
Saharidis, G. K. D., M. Minoux, M. G. Ierapetritou. Accelerating Bender's method using covering cut bundle generation. Intl. Trans. in Op. Res., 17, 221, 2010.
E. Davis, M.G. Ierapetritou . A Centroid-Based Sampling Strategy for Kriging Global Modeling and Optimization. AIChE J. 56, 220, 2010.
Saharidis, G. K. D., M. M. Golias, M. Boile, S. Theofanis, M. G. Ierapetritou. The berth scheduling problem with customer differentiation: a new methodological approach based on hierarchical optimization. Int J Adv Manuf Technol, 46, 377, 2010.
He, K., I.P. Androulakis, and M.G. Ierapetritou. Multi-element Flux Analysis for the Incorporation of Detailed Kinetic Mechanisms in Reactive Simulations. Energy Fuels, 24 , 309, 2010.
He, K., I.P. Androulakis, and M.G. Ierapetritou. On-the-fly reduction of kinetic mechanisms using element flux analysis. Chem. Eng. Sci., 65 , 1173, 2010.

2009

Ierapetritou M.G., P.G. Georgopoulos, C.M. Roth, I.P. Androulakis. Tissue-Level Modeling of Xenobiotic Metabolism in Liver: An Emerging Tool for Enabling Clinical Translational Research. Cts-Clinical and Translational Science, 2(3), 228-237, 2009.
Jia, Z., E. Davis, F. Muzzio, and M.G. Ierapetritou. Predictive Modeling for Pharmaceutical Processes using Kriging and Response Surface. Jl. Pharm. Innov., 4, 174-186, 2009.
Saharidis, G., and M.G. Ierapetritou. Scheduling of Loading and Unloading of Crude Oil in a Refinery with Combine Mixture Preparation. Ind. Eng. Chem. Res., 48(5), 2624-2633, 2009.
Yang, H., Roth, C.M., Ierapetritou, M.G.. A Rational Design Approach for Amino Acid Supplementation in Hepatocyte Culture. Biotechnology and Bioengineering. 103(6), 1176-1191, 2009.
Lima, F.V., Jia, Z., Ierapetritou, M.G., Georgakis, C. Similarities and Differences between the Concepts of Operability and Flexibility. AIChE J., 56(3), 702-716, 2009.
Golias, M.M., Saharidis, G.K., Boile, M., Theofanis, S., Ierapetritou, M.G. The berth allocation problem: Optimizing vessel arrival times. Journal of Maritime Economics and Logistics. 11, 358-377, 2009.
Portillo, P.M., Ierapetritou, M.G., Muzzio, F.J. Effects of rotation rate, mixing angle, and cohesion in two continuous powder mixers — A statistical approach. Powder Technology. 194(3), 217-227, 2009.
Li, Z., Ierapetritou, M.G. Integrated planning and scheduling in a decomposition framework. Chemical Engineering Science, 64(16), 3585-3597, 2009.
Foteinou, P., E. Yang, G.K. Saharidis, M.G. Ierapetritou and I.P. Androulakis. A Mixed-Integer Optimization Framework for the Synthesis and Analysis of Regulatory Networks. Jl. Glob Optim. 43, 263-276, 2009.
Davis, E., and M.G. Ierapetritou. A Kriging Based Method for the Solution of Mixed-Integer Nonlinear Programs Containing Black-Box Functions. Jl. Glob. Opt. 43, 191-205, 2009.
Z. Jia and Ierapetritou, M.G. Short Term Scheduling Under Uncertainty Using MILP Sensitivity Analysis. Encyclopedia of Optimization Second Edition, 3560-3567, C.A. Floudas and P.M. Pardalos (eds), Springer, 2009.
Ierapetritou, M.G. and I. Banerjee. Shape Reconstruction Methods for Nonconvex Feasibility Analysis Encyclopedia of Optimization Second Edition, 3491-3500, C.A. Floudas and P.M. Pardalos (eds), Springer, 2009.
Ierapetritou, M.G. and Z. Jia. Gasoline Blending and Distribution Scheduling: An MILP model. Encyclopedia of Optimization Second Edition, 1113-1127, C.A. Floudas and P.M. Pardalos (eds), Springer, 2009.

2008

Portillo P.M., Ierapetritou M.G., Tomassone M.S., Mc Dade C., Clancy D., Avontuur P.C., and Muzzio F.J. Quality by Design Methodology for Development and Scale Up of Batch Mixing Processes. Journal of Pharmaceutical Innovation. 3(4), 258-270, 2008.
Ierapetritou, M.G., Li. Z. Modeling and Managing Uncertainty in Process Planning and Scheduling. Springer volume in Optimization and Logistics Challenges in the Enterprise. pgs: 97-144, Kevin Furman and W. Art Chaovalitwongse (eds), Springer, 2008.
Portillo, P.M., Ierapetritou M.G., Muzzio, F.J. Using Compartment Modeling to Investigate Mixing Behavior of a Continuous Mixer. Jl. Ind. Pharm. 3, 161-174, 2008.
Li, Z., Ierapetritou M.G.. Reactive Scheduling using Parametric Programming. AIChE J., 54(10), 2610-2623, 2008.
Li, Z., Ierapetritou M.G.. Robust optimization for process scheduling under uncertainty. Ind. Eng. Chem. Res. 47(12), 4148-4157, 2008.
He, K., Ierapetritou M.G., Androulakis I.P. A graph-based approach for developing adaptive representations of complex reaction mechanisms. Comb. & Flame. 155(4), 585-604, 2008.
Portillo, P.M., M.G. Ierapetritou, and F.J. Muzzio Characterization of Continuous Convective Powder Mixing Processes. Powder Technology. 182(3), 368-378, 2008.
Li, Z. Ierapetritou M.G. Process scheduling under uncertainty: Review and challenges. Comp. Chem. Eng. 32(4-5), 715-727, 2008.

2007

Furman, K.C., Z. Jia, Ierapetritou, M.G.. A Robust Event-based Continuous Time Formulation for Tank Transfer Scheduling. Ind. Eng. Chem. Res. 46(26), 9126-9136, 2007.
Li, Z. Ierapetritou, M.G.. Process Scheduling Under Uncertainty Using Multiparametric Programming. AIChE Jl. 53(12), 3183-3203, 2007.
Li, Z. Ierapetritou, M.G. A New Methodology for the General Multiparametric Mixed-integer Linear Programming (MILP) Problems. Ind. Eng. Chem. Res. 46(15), 5141-5151, 2007.
Wu, D. Ierapetritou, M.G. Hierarchical Approach for Production Planning and Scheduling Under Uncertainty. Chem. Eng. & Process. 46(11), 1129-1140, 2007
Ierapetritou, M.G. Jia, Z.. Short-term Scheduling of Chemical Process Including Uncertainty. Control Engineering Practice. 15(10), 1207-1221, 2007.
Davis, E. Ierapetritou, M.G.. A Kriging Method for the Solution of Nonlinear Programs with Black-box Functions. AIChE Jl. 53(8), 2001-2012, 2007.
Portillo P.M., Muzzio F.J., Ierapetritou M.G. Hybrid DEM-Compartment Modeling Approach for Granular Mixing. AIChE Jl. 53(1), 119-128, 2007.
Jia, Z. Ierapetritou, M.G. Generate Pareto Optimal Solutions of Scheduling Problems using Normal Boundary Intersection Technique. Comp. Chem. Eng. 31(4), 268-280, 2007.
Davis, E., Ierapetritou, M.G. Adaptive Optimization of Noisy Black-Box Functions Inherent in Microscopic Models. Comp. Chem. Eng., 31(5-6), 466-476, 2007.
Goyal, V., Ierapetritou, M.G. Stochastic MINLP Optimization using Simplicial Approximation. Comp. Chem. Eng., 31(9), 1081-1087, 2007.

2006

Portillo, P. F. Muzzio and M.G. Ierapetritou. Characterizing Powder Mixing Processes utilizing Compartment Models. Int. Jl. Pharm. 320(1-2), 14-22, 2006.
Jia, Z. and M.G. Ierapetritou. Uncertainty Analysis on the RHS for MILP problems. AIChE J., 52(7), 2486-2495, 2006.
Wu, D., and M.G. Ierapetritou. Lagrangean decomposition using an improved Nelder–Mead approach for Lagrangean multiplier update. Comp. Chem. Eng. 30(5), 778-789, 2006.
Banerjee, I., and M.G. Ierapetritou. An Adaptive Reduction Scheme to Model Reactive Flow. Comb. Flame, 144(3), 619-633, 2006.
Bindal, A., M.G. Ierapetritou, S. Balakrishnan, A. Armaou, A. Makeev, I. Kevrekidis Equation-free, Coarse-Grained Computational Optimization Using Timesteppers. Chem. Eng. Sci. 61(2), 779-773, 2006.

2005

Balakrishnan S., Roy A., Ierapetritou M.G., Flach G.P. and Georgopoulos P.G. A Comparative Assessment of Efficient Uncertainty Analysis Techniques for Environmental Fate and Transport Models: Application to the FACT Model. Journal of Hydrology. 307 (1-4), 204-218, 2005.
Banerjee, I., and M.G. Ierapetritou. Feasibility evaluation of nonconvex systems using shape reconstruction techniques. Ind. Eng. Chem. Res., 44(10), 3638-3647, 2005.
Goyal, V. and M.G. Ierapetritou. Multiobjective Framework for Modular Design Generation Incorporating Demand Uncertainty, Ind. Eng. Chem. Res. 44(10), 3594-3606 2005.
Sirdeshpande, A.R., M.G. Ierapetritou, M.J. Andrecovich, J.P. Naumovitz. Process synthesis optimization and flexibility evaluation of air separation cycles. AIChE J., 51(4), 1190-1200, 2005.

2004

Jia, Z., and M.G. Ierapetritou. Efficient Short-term Scheduling of Refinery Operations Based on a Continuous TIme Formulation. Comp. Chem. Eng., 28(6-7), 1001-1019, 2004.
Jia, Z., and M.G. Ierapetritou. Short-Term Scheduling under Uncertainty Using MILP Sensitivity Analysis. Ind. & Eng. Chem. Res., 43(14) , 3782-3791, 2004.
Goyal, V. and M.G. Ierapetritou. Computational Studies Using a Novel Simplicial-Approximation Based Algorithm for MINLP Optimization. Comp. Chem. Eng., 28(9), 1771-1780, 2004.
Banerjee, I., and M.G. Ierapetritou. Model Independent Parametric Decision Making. Ann. Oper. Res.132, 135-155, 2004.
Wu, D., and M.G. Ierapetritou. Cyclic short-term scheduling of multiproduct batch plants using continuous-time representation.Comp. Chem. Eng. 28(11), 2271-2286, 2004.
Goyal, V., and M.G. Ierapetritou. Deterministic Framework for Robust Modular Design with Integrated-Demand Data Analysis. Ind. Eng. Chem. Res. 43(21), 6813-6821, 2004.
Sharma, N., M.G. Ierapetritou, and M.L. Yarmush. Novel Quantitative Tools for Engineering Analysis of Hepatocyte Cultures used in Bioartificial Liver Systems. Comp. Chem. Engng., 18, 1057-1062, 2004.
Hauksdottir, A.S., U. Zuhlke, M.G. Ierapetritou and V. Goyal. The Solution of Simultaneous Decoupling and Pole Placement Problem using Global Optimization. Special Issue of Comp. Chem. Eng. “The integration of Process Design and Control”, Panos Seferlis, Michael Georgiadis (Eds) Elsevier, 582-603, 2004.

2003

Goyal, V. and M.G. Ierapetritou. Framework for Evaluatingthe Feasibility/Operability of Nonconvex Processes. AIChE J,49(5), 1233-1240, 2003.
Banerjee, I., and M.G. Ierapetritou. Developmentof an Adaptive Chemistry Model Considering Micromixing Effects.58(20), 4537-4555, Chem. Eng. Sci, 2003.
Wu, D., and M.G. Ierapetritou. Decomposition Approaches for the Efficient Solution of Short-TermScheduling Problem. Comp. Chem. Eng., 27(8-9), 1261-1276, 2003.
Jia, Z., and M.G. Ierapetritou. Mixed Integer Linear Programming Model for Gasoline Blending and Distribution Scheduling,Ind. Eng. & Chem. Res., 42(4), 825-835, 2003.
Bindal, A., M.G. Ierapetritou and J.Khinast. Adaptive Multiscale Solution Of Dynamical Systems In Chemical Processes Using Wavelets. Comp. Chem. Eng.,27(1), 131-142, 2003.
Balakrishnan, S., A. Roy, M.G. Ierapetritou, G.P. Flach, and P. Georgopoulos. Uncertainty Reduction and Characterization of Complex Environmental Fate and Transport Models: An Empirical Bayesian Framework Incorporating the Stochastic Response Surface Method.Water Resources Research, 39(12), 1350-1362, 2003.
Banerjee, I., and M.G. Ierapetritou. Parametric Process Synthesis for General Nonlinear Models. Comput. Chem. Eng., 27(10), 1499-1512, 2003.
Goyal, V. and M.G. Ierapetritou. Integration of Data Analysis and Design Optimization for the systematic Generation of Equipment Portfolio. Ind. Eng. & Chem. Res., 42, 5204-5214, 2003.
Jia, Z., M.G. Ierapetritou and J. D. Kelly. Refinery Short-term Scheduling Using Continuous Time Formulation Crude Oil Operations, Ind. Eng. & Chem. Res., 42(13), 3085-3097, 2003.
Goyal, V. and M.G. Ierapetritou. MINLP Optimization Using Simplicial Approximation Method for Classes of Nonconvex Problems. In “Nonconvex Optimization and Its Applications #74: Frontiers in Global Optimization”, C.A. Floudas and P.M. Pardalos (Eds), Springer, 2003, pages 165-195.

2002

Balakrishnan S., P. Georgopoulos,I. Banerjee and M.G.Ierapetritou. Uncertainty Considerations in the Complex Kinetic Mechanisms Reduction. AIChE J , 48(12), 2875-2889, 2002.
Ierapetritou, M.G., D. Wu, J. Vin, P. Sweeney, M.Chigirinskiy. Cost Minimization In An Energy Intensive Plant Using Mathematical Programming Approaches. Ind. & Eng. Chem. Res, 41(21), 5262-5277, 2002.
Goyal, V. and M.G. Ierapetritou. Determination of Operability Limits Using Simplicial Approximation.AIChE J,48(12), 2902-2909, 2002.
Ierapetritou M.G. and J.Khinast. A New Stability Analysis Approach for Chemical Reactors Based on Iterative Sampling and Optimization. AIChE J., 48(1), 187-192, 2002.
Banerjee, I., and M.G. Ierapetritou. Design Optimization under Parameter Uncertainty for General Black-Box Models. Ind. & Eng. Chem. Res, 41, 6687-6697, 2002.

2001

Vin J, and M.G. Ierapetritou. Robust Short-Term Scheduling of Multiproduct Batch Plants under Demand Uncertainty. Ind. & Eng. Chem. Res, 40(21), 4543-4554, 2001.
Ierapetritou M.G., and C.A. Floudas. Comments on "An improved RTN Continuous-time Formulation for the Short-term Scheduling of Multipurpose Batch Plants". Ind. & Eng. Chem. Res, 40(20), 5040-5041, 2001.
Sirdeshpande, A., M.G. Ierapetritou, and I.P. Androulakis. Design of Flexible Reduced Kinetic Mechanisms. AIChE J., 47(11), 2461-2473, 2001.
Floudas, C.A., Z. Gumus, and M.G. Ierapetritou. Global Optimization for the Feasibility Test and Flexibility Index Problems. ,Ind. & Eng. Chem. Res, 40(2), 4267-4282, 2001.
Ierapetritou M.G. A New Approach for Quantifying Process Feasibility: Convex and one Dimensional Quasi-Convex Regions. AIChE J., 47(6), 1407-1417, 2001.
Ierapetritou, M.G. Bilevel Optimization: Feasibility Test and Flexibility Index Encyclopedia of Optimization, C.A. Floudas and P.M. Pardalos (eds), Kluwer Academic Publisher, Printed in the Netherlands, 228-239, 2001.
Ierapetritou, M.G. MINLP: Application in Facility Location-Allocation Encyclopedia of Optimization, C.A. Floudas and P.M. Pardalos (eds), Kluwer Academic Publisher, Printed in the Netherlands, 1392-1399, 2001.
Ierapetritou, M.G. Single Facility Location: Multi-objective Rectilinear Distance Location Encyclopedia of Optimization, C.A. Floudas and P.M. Pardalos (eds), Kluwer Academic Publisher, Printed in the Netherlands, 2404-2408, 2001.
Ierapetritou, M.G. Single Facility Location: Multi-objective Euclidean Distance Location Encyclopedia of Optimization, C.A. Floudas and P.M. Pardalos (eds), Kluwer Academic Publisher, Printed in the Netherlands, 3610-3613, 2001.

2000

Vin J, and M.G. Ierapetritou. A New Approach for Efficient Rescheduling of Multiproduct Batch Plants.Ind. & Eng. Chem. Res, 39(11), 4228-4238, 2000.
Ierapetritou M.G., I.P. Androulakis, D.S. Monos and C.A. Floudas, "Structure Prediction of Binding Sites of MHC Class II Molecules based on the Crystal of HLA-DR1 and Global Optimization", State of the Art in Global Optimization: Computational Methods and Applications, Eds: C.A. Floudas and P.M. Pardalos, Kluwer, 157-189, 2000.

1999

Ierapetritou M.G., T.S. Hene and C.A. Floudas, Effective Continuous-Time Formulation for Short-Term Scheduling: III Multiple Intermediate Due Dates Ind. & Eng. Chem, 38(9), 3446-3461 1999.
Ierapetritou M.G., and C.A. Floudas and S. Vansantharajan and A.S. Gullick, A Decomposition Based Approach for Optimal Location of Vertical Wells AIChE J., 45(4), 844-859, 1999.

1998

Ierapetritou M.G., and C.A. Floudas, Effective Continuous-Time Formulation for Short-Term Scheduling: I. Multipurpose Batch Processes Ind. & Eng. Chem. Res., 37(11), 4341-4359, 1998.
Ierapetritou M.G., and C.A. Floudas, Effective Continuous-Time Formulation for Short-Term Scheduling: II. Multipurpose/Multiproduct Continuous Processes Ind. & Eng. Chem. Res., 37(11), 4360-4374, 1998.
Ierapetritou, M.G, and C.A. Floudas, Short-Term Scheduling: New Mathematical Models vs Algorithmic Improvements. Comp. & Chem. Eng., 22(S1), S419-S426, 1998.
Klepeis, J.L., M.G. Ierapetritou, and C.A. Floudas, Protein Folding and Peptide Docking: A Molecular Modeling and Global Optimization Approach. Comp. & Chem. Eng., 22(S1), S3-S10, 1998
Klepeis, J.L., I.P. Androulakis, M.G. Ierapetritou, and C.A. Floudas, Predicting Solvated Peptide Conformations via Global Minimization of Energetic atom-to-atom Interactions. Comp. & Chem. Eng.,22(6), 765-788, 1998

1997

Epperly T., M.G. Ierapetritou and E.N. Pistikopoulos, On the global and efficient solution of stochastic batch plant design problems. Comp. & Chem. Eng., 21(12), 1411-1431, 1997.
Androulakis I.P., N.N. Nayak, M.G. Ierapetritou, D.S. Monos and C.A. Floudas, Identification of Peptide Binding Specificity for Pocket 1 of HLA-DR1 Based on Global Minimization of Energy Interactions. Proteins: Structure,Function and Genetics, 29(1), 87-102, 1997.

1996

Ierapetritou, M.G., E.N. Pistikopoulos and C. A. Floudas, Operational Planning Under Uncertainty.Comp. & Chem. Eng., 20, 1499-1516, 1996.
Ierapetritou, M.G. and E. N. Pistikopoulos, Batch Plant Design and Operations under Uncertainty Ind. & Eng. Chem. Res., 35(3), 772-787, 1996.
Ierapetritou, M.G., J. Acevedo and E.N. Pistikopoulos, An Optimization Approach for Process Engineering Problems under Uncertainty. Comp. & Chem. Eng., 20, 703-709, 1996.
Pistikopoulos, E.M, T.V. Thomaidis, M. G. Ierapetritou and A. Melin, Flexibility, Reliability and Maintenance considerations in Batch Plant Design Comp. & Chem. Eng., 20(S2), S1209-S1214, 1996.
Ierapetritou, M.G. and E. N. Pistikopoulos, Global Optimization for Stochastic Planning Scheduling and Design Problems Global Optimization in Engineering Design, I.E.Grossmann (ed), Kluwer Academic Publisher, Printed in the Netherlands, 231-287, 1996.
Visweswaran V., Floudas C.A., Ierapetritou, M.G. and Pistikopoulos E.N., A Decomposition Based Global Optimization Approach for Bi-Level Convex Programming Problems. State of the Art in Global Optimization: Computational Methods and Applications C.A. Floudas and P.M. Pardalos (eds), Springer, pages: 139-162, 1996.

1995

Ierapetritou, M.G. and E.N. Pistikopoulos, Design of Multiproduct Batch Plants with Uncertain Demands. Comp. & Chem. Eng., 19(S1), 627-632, 1995.
Pistikopoulos, E.N. and M.G. Ierapetritou, A Novel Approach for Optimal Process Design under Uncertainty. Comp. & Chem. Eng., 19(10), 1089-1110, 1995.

1994

Ierapetritou, M.G. and E. N. Pistikopoulos, A Novel Optimization Approach of Stochastic Planning Models. Ind. & Eng. Chem. Res., 33(8), 1930-1942, 1994.
Ierapetritou, M.G. and E. N. Pistikopoulos. Simultaneous incorporation of flexibility and economic risk in operational planning under uncertainty. Comp. & Chem. Eng, 18(3), 163-189, 1994.

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