Journal Publications

Mukherjee, A., Soderstrom, T. A., Kurtz, M. J., & Zavala, V. M. (2027). Topological data analysis for high-dimensional dynamic process monitoring. Computers and Chemical Engineering, 216, 109883. [doi] [preprint]

Baldea, M., Broadbelt, L. J., Ierapetritou, M. G., Jain, A., Kumar, A., Kwan, T. A., Llovell, F., Medford, A. J., Mitrai, I., Paulson, J. A., & Zavala, V. M. (2026). Atoms to Processes: The Role of Artificial Intelligence and Machine Learning in Chemical Engineering. Industrial and Engineering Chemistry Research. [doi] [preprint]

Santiago-Martinez, L., Avraamidou, S., Ayala-Cortes, A., Azike, R., Bakshi, S., Banik, C., Bar-Ziv, E., Canales, E., Carlson, T., Dumesic, J. A., & Zavala, V. M., et al. (2026). Biomass Demineralization: A Critical Need for Future Biorefineries. Chemical Reviews, 126(8), 4511–4591. [doi]

Cole, D. L., Pecci, F., Guerra, O. J., Gangammanavar, H., Jenkins, J. D., & Zavala, V. M. (2026). Graph-based modeling and decomposition of hierarchical optimization problems. Mathematical Programming Computation, 1–53. [doi] [preprint]

Umana, J. E., Zawicki, N. A., Gebbie, M. A., Zavala, V. M., & Cersonsky, R. K. (2026). Identifying the impact of chemical functional groups on ionic liquid conductivity. Chemical Science, 17(27), 13642–13655. [doi] [preprint]

Wang, R., Michael, K., Kenis, P. J. A., Zavala, V. M., & Jin, S. (2026). Modular electrochemical synthesis for flexible chemical manufacturing. Nature Chemical Engineering, 3(3), 142–146. [doi]

Ikegwu, U. M., Van Lehn, R. C., & Zavala, V. M. (2026). Navigating Large Chemical Spaces Using Graph Theory and Integer Programming. Journal of Chemical Information and Modeling. [doi] [preprint]

Cortes-Pena, Y. R., & Zavala, V. M. (2026). Phenomena-based graph representations and applications to chemical process simulation. Computers and Chemical Engineering, 109756. [doi] [preprint]

Mukherjee, A., & Zavala, V. M. (2026). Physics-constrained machine learning for chemical engineering. Current Opinion in Chemical Engineering, 51, 101228. [doi] [preprint]

Thompson, J., Connors, B. M., Zavala, V. M., & Venturelli, O. S. (2026). Physics-constrained neural ordinary differential equation models to discover and predict microbial community dynamics. Proceedings of the National Academy of Sciences, 123(13), e2517661123. [doi] [preprint]

Zuniga, B. E., Abraham, J. P., Jaroensuk, J., Cansino-Loeza, B., Hasenour, C. M., Weidenbach, S., Williams, R. B., Zavala, V. M., Allen, D. K., & Pfleger, B. F., et al. (2026). Rational engineering to enhance C8-fatty acid biosynthesis in Picosynechococcus sp. PCC 7002. Metabolic Engineering. [doi]

Hernandez-Morales, G., Cansino-Loeza, B., Jimenez-Gutierrez, A., & Zavala, V. M. (2026). Simulation-Based Optimization over Discrete Spaces Using Projection to Continuous Latent Spaces. Industrial and Engineering Chemistry Research. [doi] [preprint]

Zhou, P., Ikegwu, U. M., Radkevich, E., Ra, E., Liburd, H., Huber, G. W., Zavala, V. M., & Van Lehn, R. C. (2026). Solvent-mediated contaminant removal from plastic waste using thermodynamic modeling. Green Chemistry, 28(21), 9061–9077. [doi]

Loeza, B. C., McIntosh, V., Ternus, K., Bansal, M., Laky, D., Roberson, L., Alper, H., & Zavala, V. M. (2026). Space Biomanufacturing of Lactic Acid: Conceptual Design and Techno-Economic Analysis. Computers and Chemical Engineering. [doi] [preprint]

Li, M., Wang, R., Yen, P.-Y., Moeller, A., Shippy, R., Michael, K. H., Zavala, V. M., Jin, S., & Mavrikakis, M. (2026). Trends for Proton Transport Activity and Stability in Turnbull’s Blue Analogues: Theory and Experiments. Chemistry of Materials, 38(12), 5903–5915. [doi]

Gonzalez, L. D., Pulsipher, J. L., Jiang, S., Mukherjee, A., Soderstrom, T., & Zavala, V. M. (2025). A digital twin simulator of a pastillation process with applications to automatic control based on computer vision. Computers and Chemical Engineering, 201, 109205. [doi] [preprint]

Wang, B.-X., & Zavala, V. M. (2025). A fairness-guided supply chain framework for polyester production from biomass. Computers and Chemical Engineering, 109504. [doi]

Ikegwu, U. M., Zhou, P., Van Lehn, R. C., Zavala, V. M., & del Carmen Munguia-Lopez, A. (2025). A fast computational framework for the design of solvent-based plastic recycling processes. Computers and Chemical Engineering, 109148. [doi] [preprint]

Lopez, B., Shao, Y., & Zavala, V. M. (2025). A graph-theoretic framework for analyzing and designing chemical engineering curricula. Computers and Chemical Engineering, 109150. [doi] [preprint]

Wang, F., Qin, S., Yang, Z., Edwards-Medina, L. M., Chiu, B. L., Acevedo-Velez, C., Remucal, C. K., Van Lehn, R. C., Zavala, V. M., & Lynn, D. M. (2025). A Machine Learning-Assisted Liquid Crystal Droplet Array Platform for the Sensitive and Selective Detection of Per-and Polyfluoroalkyl Substances (PFAS) in Water. ACS sensors, 10(10), 7343–7353. [doi]

Brahmbhatt, P., Cole, D. L., Zavala, V. M., & Avraamidou, S. (2025). Benders decomposition using graph modeling and multi-parametric programming. Industrial and Engineering Chemistry Research. [doi] [preprint]

Chavkin, T. A., Gonzalez, L. D., Cansino-Loeza, B., Larson, R. A., Pfleger, B. F., & Zavala, V. M. (2025). Codesign of Cyanobacteria Mutant Strains and Processes for Phosphorus Recovery from Livestock Wastewater. ACS Sustainable Chemistry and Engineering, 13(7), 2672–2682. [doi] [preprint]

Perkovich, P. M., Cortes-Pena, Y. R., Baerwald, J. J., Graupmann, T. H., Chavkin, T. A., Mishra, S., Cordell, W. T., Zavala, V. M., & Pfleger, B. F. (2025). Demonstration and technoeconomic analysis of dodecanol production from acetate using metabolically engineered Escherichia coli. Metabolic Engineering. [doi]

Garcia, R. C., Erickson, E. D., Martin, M., & Zavala, V. M. (2025). Evaluating the potential of plastic waste upcycling using thermochemical technologies: A case study in Spain. Computers and Chemical Engineering, 109524. [doi]

Baldea, M., Georgiou, A. T., Gopaluni, B., Mercangöz, M., Pantelides, C. C., Sheth, K., Zavala, V. M., & Georgakis, C. (2025). From automated to autonomous process operations. Computers and Chemical Engineering, 196, 109064. [doi]

Gonzalez, L. D., & Zavala, V. M. (2025). Implementation of a Bayesian Optimization Framework for Interconnected Systems. Industrial and Engineering Chemistry Research. [doi] [preprint]

Gonzalez-Perez, J. E., Jiang, S., Jimenez-Gonzalez, O., Zavala, V. M., Romo-Hernandez, A., Guerrero-Beltran, J. A., Lopez-Malo, A., & Ramirez-Corona, N. (2025). Implementing Topological Data Analysis for Monitoring Mass Transfer during Vacuum-Assisted Osmotic Dehydration of Apples. ACS omega. [doi]

Tominac, P. A., Zavala, V. M., Zamarripa, M. A., & Drouven, M. G. (2025). New opportunities in produced water management: A market-based approach to produced water trading. Geoenergy Science and Engineering, 244, 213393. [doi]

Posada-Borbon, A., Wolter, T., Yu, H., Smith, E., Schauer, J. J., Van Lehn, R. C., Zavala, V. M., Abbott, N. L., & Mavrikakis, M. (2025). NO2 Adsorption on Oxygen-Modified Ag at Ambient Conditions. Journal of the American Chemical Society. [doi]

Medina-Moreno, S. A., Zavala, V. M., Gaxiola-Muniz, E., Juvera-Gutierrez, A. M., & Tec-Caamal, E. N. (2025). Performance Drivers for Diesel Degradation in Multiphase Bioreactors by Microbial Consortia Isolated from Polluted Environments. Industrial and Engineering Chemistry Research, 64(12), 6279–6291. [doi]

Engelmann, A., Shin, S., Pacaud, F., & Zavala, V. M. (2025). Scalable primal decomposition schemes for large-scale infrastructure networks. IEEE Transactions on Control of Network Systems. [doi] [preprint]

Ikegwu, U. M., del Carmen Munguia-Lopez, A., Zavala, V. M., & Van Lehn, R. C. (2025). Screening green solvents for multilayer plastic film recycling processes. Computers and Chemical Engineering, 109129. [doi] [preprint]

Xu, Z., Sanchez-Rivera, K., Granger, C., Zhou, P., Munguia-Lopez, A. C., Ikegwu, U. M., Avraamidou, S., Zavala, V. M., Van Lehn, R. C., & Bar-Ziv, E., et al. (2025). Solvent-based plastic recycling technologies. Nature Chemical Engineering, 2(7), 407–423. [doi]

Riepin, I., Brown, T., & Zavala, V. M. (2025). Spatio-temporal load shifting for truly clean computing. Advances in Applied Energy, 17, 100202. [doi] [preprint]

Seider, W. D., Bhamla, S., Dunn, J., El-Halwagi, M., Hanrath, T., Hasan, M. M. F., Hedengren, J., Hirshfield, L., Maravelias, C. T., Piffarerio, M., & Zavala, V. M., et al. (2025). Teaching chemical product design. Education for Chemical Engineers, 52, 101–110. [doi]

Gonzalez, L. D., Cansino-Loeza, B., Chavkin, T. A., Gay, J. D., Larson, R. A., Pfleger, B. F., & Zavala, V. M. (2025). Techno-economic analysis of an integrated process for cyanobacteria-based nutrient recovery from livestock waste. Computers and Chemical Engineering, 109149. [doi] [preprint]

Knose, L. A., Cole, D. L., Martin-Hernandez, E., Zavala, V. M., Gonzalez, M. A., Vaneeckhaute, C., & Ruiz-Mercado, G. J. (2025). The Impact of Legacy Nutrient Loading from Lake Sediments on Cyanobacteria Bloom Severity. ACS EST Water. [doi]

Cole, D. L., Dalvi, S., Zavala, V. M., & Guerra, O. J. (2025). Toward understanding the complexity of long-duration energy storage siting in high renewable power grids. iScience, 28(6). [doi]

Umana, J. E., Cashen, R. K., Zavala, V. M., & Gebbie, M. A. (2025). Uncovering ion transport mechanisms in ionic liquids using data science. Digital Discovery, 4(6), 1423–1436. [doi] [preprint]

Laky, D. J., & Zavala, V. M. (2024). A fast and scalable computational topology framework for the Euler characteristic. Digital Discovery, 3(2), 392–409. [doi] [preprint]

Wang, B.-X., Zhuang, J., & Zavala, V. M. (2024). A Pathway Analysis Framework for Evaluating the Economic and Environmental Viability of Biomass-Based Plastic Production. ACS Sustainable Chemistry and Engineering. [doi] [preprint]

Harmer, Z. P., Thompson, J. C., Cole, D. L., Venturelli, O. S., Zavala, V. M., & McClean, M. N. (2024). Dynamic Multiplexed Control and Modeling of Optogenetic Systems Using the High-Throughput Optogenetic Platform, Lustro. ACS Synthetic Biology, 13(5), 1424–1433. [doi] [preprint]

Erickson, E. D., Tominac, P. A., Ma, J., Aguirre-Villegas, H., & Zavala, V. M. (2024). Evaluating the economic and environmental benefits of deploying a national-scale, thermo-chemical plastic waste upcycling infrastructure in the United States. Computers and Chemical Engineering, 189, 108800. [doi] [preprint]

Wang, R., Ma, J., Sheng, H., Zavala, V. M., & Jin, S. (2024). Exploiting different electricity markets via highly rate-mismatched modular electrochemical synthesis. Nature Energy, 1–10. [doi]

Morales, G. H., Medina, E. I. S., Jimenez-Gutierrez, A., & Zavala, V. M. (2024). Graph neural networks for CO2 solubility predictions in Deep Eutectic Solvents. Computers and Chemical Engineering, 108750. [doi] [preprint]

Lopez, B., Ma, J., & Zavala, V. M. (2024). Graph-Based Optimization for Technology Pathway Analysis: A Case Study in the Decarbonization of University Campuses. Industrial and Engineering Chemistry Research, 63(5), 2276–2293. [doi] [preprint]

Qin, S., Omolabake, S., Diaby, A., Li, J., Gonzalez, L. D., Holland, C. M., Zavala, V. M., Stahl, S. S., & Van Lehn, R. C. (2024). Identifying Green Solvent Mixtures for Bioproduct Separation Using Bayesian Experimental Design. ACS Sustainable Chemistry and Engineering, 12(52), 18634–18647. [doi] [preprint]

Cole, D. L., & Zavala, V. M. (2024). PlasmoData.jl — A Julia framework for modeling and analyzing complex data as graphs. Computers and Chemical Engineering, 185, 108679. [doi] [preprint]

Long, F., Jiang, S., Bar-Ziv, E., & Zavala, V. M. (2024). Robust plastic waste classification using wavelet transform multi-resolution analysis and convolutional neural networks. Computers and Chemical Engineering, 181, 108516. [doi]

Wang, B.-X., Cortes-Pena, Y., Grady, B. P., Huber, G. W., & Zavala, V. M. (2024). Techno-Economic Analysis and Life Cycle Assessment of the Production of Biodegradable Polyaliphatic–Polyaromatic Polyesters. ACS Sustainable Chemistry and Engineering. [doi]

Zavala, V. M., & Smith, A. D. (2024). The shape of complex systems. Nature Chemical Engineering, 1(7), 494–494. [doi]

Blanco, V., Hinojosa, Y., & Zavala, V. M. (2024). The Waste-to-Biomethane Logistic Problem: A Mathematical Optimization Approach. ACS Sustainable Chemistry and Engineering. [doi] [preprint]

Smith, A. D., Donley, G. J., Del Gado, E., & Zavala, V. M. (2024). Topological Data Analysis for Particulate Gels. ACS nano. [doi] [preprint]

Jiang, S., Qin, S., Van Lehn, R. C., Balaprakash, P., & Zavala, V. M. (2024). Uncertainty quantification for molecular property predictions with graph neural architecture search. Digital Discovery, 3(8), 1534–1553. [doi] [preprint]

Lucky, C., Jiang, S., Shih, C.-R., Zavala, V. M., & Schreier, M. (2024). Understanding the interplay between electrocatalytic fragmentation and oxygenation reactions. Nature Catalysis, 1–11. [doi]

Cole, D. L., Ruiz-Mercado, G. J., & Zavala, V. M. (2023). A Graph-Based Modeling Framework for Tracing Hydrological Pollutant Transport in Surface Waters. arXiv preprint arXiv:2302.04991. [doi] [preprint]

Shao, Y., Ma, J., & Zavala, V. M. (2023). A spatial superstructure approach to the optimal design of modular processes and supply chains. Computers and Chemical Engineering, 170, 108102. [doi]

dos Santos, K. V., Colonetti, B., Finardi, E. C., & Zavala, V. M. (2023). Accelerated dual dynamic integer programming applied to short-term power generation scheduling. International Journal of Electrical Power and Energy Systems, 145, 108689. [doi]

Erickson, E. D., Tominac, P. A., & Zavala, V. M. (2023). Biogas production in United States dairy farms incentivized by electricity policy changes. Nature Sustainability, 1–9. [doi]

Qin, S., Jiang, S., Li, J., Balaprakash, P., Van Lehn, R. C., & Zavala, V. M. (2023). Capturing molecular interactions in graph neural networks: a case study in multi-component phase equilibrium. Digital Discovery, 2(1), 138–151. [doi] [preprint]

Olafasakin, O., Ma, J., Zavala, V. M., Brown, R. C., Huber, G. W., & Mba-Wright, M. (2023). Comparative Techno-economic Analysis and Life Cycle Assessment of Producing High-Value Chemicals and Fuels from Waste Plastic via Conventional Pyrolysis and Thermal Oxo-degradation. Energy and Fuels, 37(20), 15832–15842. [doi]

Wang, F., Qin, S., Acevedo-Velez, C., Van Lehn, R. C., Zavala, V. M., & Lynn, D. M. (2023). Decoding Optical Responses of Contact-Printed Arrays of Thermotropic Liquid Crystals Using Machine Learning: Detection and Reporting of Aqueous Amphiphiles with Enhanced Sensitivity and Selectivity. ACS Applied Materials and Interfaces. [doi] [preprint]

Ma, J., Tominac, P. A., Aguirre-Villegas, H. A., Olafasakin, O. O., Wright, M. M., Benson, C. H., Huber, G. W., & Zavala, V. M. (2023). Economic evaluation of infrastructures for thermochemical upcycling of post-consumer plastic waste. Green Chemistry, 25(3), 1032–1044. [doi] [preprint]

Gold, J. I., Sheavly, J. K., Bao, N., Yu, H., Rajbangshi, J., Schauer, J. J., Zavala, V. M., Abbott, N. L., Van Lehn, R. C., & Mavrikakis, M. (2023). Elucidating Molecular-Scale Principles Governing the Anchoring of Liquid Crystal Mixtures on Solid Surfaces. ACS nano, 17(22), 22620–22631. [doi]

Ma, J., Rebarchik, M., Bhandari, S., Mavrikakis, M., Huber, G. W., & Zavala, V. M. (2023). Exploiting electricity market dynamics using flexible electrolysis units for retrofitting methanol synthesis. Energy and Environmental Science, 16(5), 2346–2357. [doi] [preprint]

Yu, J., del Carmen Munguia-Lopez, A., Cecon, V. S., Sanchez-Rivera, K. L., Nelson, K., Wu, J., Kolapkar, S., Zavala, V. M., Curtzwiler, G. W., Vorst, K. L., & Huber, G. W. (2023). High-purity Polypropylene from Disposable Face Masks via Solvent-Targeted Recovery and Precipitation. Green Chemistry. [doi]

Li, H., Wu, J., Jiang, Z., Ma, J., Zavala, V. M., Landis, C. R., Mavrikakis, M., & Huber, G. W. (2023). Hydroformylation of pyrolysis oils to aldehydes and alcohols from polyolefin waste. Science, 381(6658), 660–666. [doi]

Thompson, J. C., Zavala, V. M., & Venturelli, O. S. (2023). Integrating a tailored recurrent neural network with Bayesian experimental design to optimize microbial community functions. PLOS Computational Biology, 19(9), e1011436. [doi] [preprint]

Boigenzahn, H., Gonzalez, L. D., Thompson, J. C., Zavala, V. M., & Yin, J. (2023). Kinetic modeling and parameter estimation of a prebiotic peptide reaction network. Journal of Molecular Evolution, 1–15. [doi]

Smith, A., Hua, J., de Foy, B., Schauer, J. J., & Zavala, V. M. (2023). Multi-site, multi-pollutant atmospheric data analysis using Riemannian geometry. Science of The Total Environment, 892, 164064. [doi]

Gonzalez, L. D., & Zavala, V. M. (2023). New paradigms for exploiting parallel experiments in Bayesian optimization. Computers and Chemical Engineering, 170, 108110. [doi] [preprint]

Zavala, V. M. (2023). Outlook: How I Learned to Love Machine Learning (A Personal Perspective on Machine Learning in Process Systems Engineering). Industrial and Engineering Chemistry Research. [doi]

Zhang, W., & Zavala, V. M. (2023). Quantifying space-time load shifting flexibility in electricity markets. Computers and Chemical Engineering, 108338. [doi] [preprint]

del Carmen Munguia-Lopez, A., Goreke, D., Sanchez-Rivera, K. L., Aguirre-Villegas, H., Avraamidou, S., Huber, G. W., & Zavala, V. M. (2023). Quantifying the Environmental Benefits of a Solvent-Based Separation Process for Multilayer Plastic Films. Green Chemistry. [doi] [preprint]

Sanchez-Rivera, K. L., del Carmen Munguia-Lopez, A., Zhou, P., Cecon, V. S., Yu, J., Nelson, K., Miller, D., Grey, S., Xu, Z., Bar-Ziv, E., & Zavala, V. M., et al. (2023). Recycling of a post-industrial printed multilayer plastic film containing polyurethane inks by solvent-targeted recovery and precipitation. Resources, Conservation and Recycling, 197, 107086. [doi]

Jiang, S., Bao, N., Smith, A. D., Byndoor, S., Van Lehn, R. C., Mavrikakis, M., Abbott, N. L., & Zavala, V. M. (2023). Scalable Extraction of Information from Spatio-Temporal Patterns of Chemoresponsive Liquid Crystals Using Topological Data Analysis. Journal of Physical Chemistry C. [doi] [preprint]

Olafasakin, O., Ma, J., Bradshaw, S. L., Aguirre-Villegas, H. A., Benson, C., Huber, G. W., Zavala, V. M., & Mba-Wright, M. (2023). Techno-Economic and life cycle assessment of standalone Single-Stream material recovery facilities in the United states. Waste Management, 166, 368–376. [doi]

Smith, A., Runde, S., Chew, A. K., Kelkar, A. S., Maheshwari, U., Van Lehn, R. C., & Zavala, V. M. (2023). Topological Analysis of Molecular Dynamics Simulations using the Euler Characteristic. Journal of Chemical Theory and Computation, 19(5), 1553–1567. [doi] [preprint]

Yoo, H., Zavala, V. M., & Lee, J. H. (2022). A dynamic penalty approach to state constraint handling in deep reinforcement learning. Journal of Process Control, 115, 157–166. [doi]

Jalving, J., Shin, S., & Zavala, V. M. (2022). A graph-based modeling abstraction for optimization: Concepts and implementation in plasmo.jl. Mathematical Programming Computation, 14(4), 699–747. [doi] [preprint]

Cole, D. L., Shin, S., & Zavala, V. M. (2022). A Julia Framework for Graph-Structured Nonlinear Optimization. Industrial and Engineering Chemistry Research, 61(26), 9366–9380. [doi] [preprint]

Pulsipher, J. L., Zhang, W., Hongisto, T. J., & Zavala, V. M. (2022). A unifying modeling abstraction for infinite-dimensional optimization. Computers and Chemical Engineering, 156, 107567. [doi] [preprint]

Hu, Y., Zhang, W., Tominac, P., Shen, M., Goreke, D., Martin-Hernandez, E., Martin, M., Ruiz-Mercado, G. J., & Zavala, V. M. (2022). ADAM: A web platform for graph-based modeling and optimization of supply chains. Computers & chemical engineering, 165, 107911. [doi]

Martin-Hernandez, E., Hu, Y., Zavala, V. M., Martin, M., & Ruiz-Mercado, G. J. (2022). Analysis of incentive policies for phosphorus recovery at livestock facilities in the Great Lakes area. Resources, Conservation and Recycling, 177, 105973. [doi]

Alcocer-Garcia, H., Segovia-Hernandez, J. G., Sanchez-Ramirez, E., Tominac, P., & Zavala, V. M. (2022). Coordinated markets for furfural and levulinic acid from residual biomass: A case study in Guanajuato, Mexico. Computers and Chemical Engineering, 156, 107568. [doi]

Smith, A., Laubach, B., Castillo, I., & Zavala, V. M. (2022). Data analysis using Riemannian geometry and applications to chemical engineering. Computers and Chemical Engineering, 168, 108023. [doi] [preprint]

Li, H., Aguirre-Villegas, H. A., Allen, R. D., Bai, X., Benson, C. H., Beckham, G. T., Bradshaw, S. L., Brown, J. L., Brown, R. C., Cecon, V. S., Zavala, V. M., & Huber, G. (2022). Expanding plastics recycling technologies: chemical aspects, technology status and challenges. Green Chemistry. [doi] [preprint]

Zhang, W., Roald, L. A., & Zavala, V. M. (2022). Exploring the Impacts of Power Grid Signals on Data Center Operations using a Receding-Horizon Scheduling Model. IEEE Transactions on Sustainable Computing. [doi] [preprint]

Shin, S., Anitescu, M., & Zavala, V. M. (2022). Exponential decay of sensitivity in graph-structured nonlinear programs. SIAM Journal on Optimization, 32(2), 1156–1183. [doi] [preprint]

Hu, Y., Aguirre-Villegas, H., Larson, R. A., & Zavala, V. M. (2022). Managing Conflicting Economic and Environmental Metrics in Livestock Manure Management. ACS EST Engineering, 2(5), 819–830. [doi] [preprint]

Hernandez-Romero, I. M., Zavala, V. M., Flores-Tlacuahuac, A., Napoles-Rivera, F., Fuentes-Cortes, L. F., & Esquivel-Patino, G. G. (2022). Multi-objective optimization of an open-cycle, ocean thermal energy conversion system with desalinization. Chemical Engineering and Processing-Process Intensification, 179, 109091. [doi]

Roman, A. J., Qin, S., Rodriguez, J. C., Gonzalez, L. D., Zavala, V. M., & Osswald, T. A. (2022). Natural Rubber Blend Optimization via Data-Driven Modeling: The Implementation for Reverse Engineering. Polymers, 14(11), 2262. [doi]

Na, S., Shin, S., Anitescu, M., & Zavala, V. M. (2022). On the Convergence of Overlapping Schwarz Decomposition for Nonlinear Optimal Control. IEEE Transactions on Automatic Control. [doi] [preprint]

Je, L., Huber, G. W., Van Lehn, R. C., & Zavala, V. M. (2022). On the integration of molecular dynamics, data science, and experiments for studying solvent effects on catalysis. Current Opinion in Chemical Engineering, 36, 100796. [doi]

Long, F., Jiang, S., Adekunle, A. G., Zavala, V. M., & Bar-Ziv, E. (2022). Online Characterization of Mixed Plastic Waste Using Machine Learning and Mid-Infrared Spectroscopy. ACS Sustainable Chemistry and Engineering. [doi]

Bao, N., Gold, J. I., Sheavly, J. K., Schauer, J. J., Zavala, V. M., Van Lehn, R. C., Mavrikakis, M., & Abbott, N. L. (2022). Ordering Transitions of Liquid Crystals Triggered by Metal Oxide-catalyzed Reactions of Sulfur Oxide Species. Journal of the American Chemical Society. [doi]

Colonetti, B., Finardi, E., Brito, S., & Zavala, V. M. (2022). Parallel Dual Dynamic Integer Programming for Large-Scale Hydrothermal Unit-Commitment. IEEE Transactions on Power Systems. [doi]

Zhang, W., Tominac, P. A., & Zavala, V. M. (2022). Pricing and remunerating electricity storage flexibility using virtual links. Computers and Chemical Engineering, 168, 108019. [doi] [preprint]

Pulsipher, J. L., Davidson, B. R., & Zavala, V. M. (2022). Random field optimization. Computers and Chemical Engineering, 165, 107854. [doi] [preprint]

Zhang, W., & Zavala, V. M. (2022). Remunerating space–time, load-shifting flexibility from data centers in electricity markets. Applied Energy, 326, 119930. [doi] [preprint]

Pulsipher, J. L., Coutinho, L. D. J., Soderstrom, T. A., & Zavala, V. M. (2022). SAFE-OCC: A novelty detection framework for Convolutional Neural Network sensors and its application in process control. Journal of Process Control, 117, 78–97. [doi] [preprint]

Bao, N., Jiang, S., Smith, A., Schauer, J. J., Mavrikakis, M., Van Lehn, R. C., Zavala, V. M., & Abbott, N. L. (2022). Sensing Gas Mixtures by Analyzing the Spatiotemporal Optical Responses of Liquid Crystals Using 3D Convolutional Neural Networks. ACS sensors. [doi] [preprint]

Ma, J., & Zavala, V. M. (2022). Solution of large-scale supply chain models using graph sampling and coarsening. Computers and Chemical Engineering, 163, 107832. [doi] [preprint]

Tominac, P. A., Zhang, W., & Zavala, V. M. (2022). Spatio-temporal economic properties of multi-product supply chains. Computers and Chemical Engineering, 159, 107666. [doi] [preprint]

Kim, J. R., Hu, Y., Zavala, V. M., & Karthikeyan, K. G. (2022). Techno-economic analysis of pretreatments to dairy manure biomass for enhanced biogas production. Bioresource Technology Reports, 20, 101275. [doi]

Zinchik, S., Jiang, S., Friis, S., Long, F., Hogstedt, L., Zavala, V. M., & Bar-Ziv, E. (2021). Accurate Characterization of Mixed Plastic Waste Using Machine Learning and Fast Infrared Spectroscopy. ACS Sustainable Chemistry and Engineering, 9(42), 14143–14151. [doi]

Lu, Q., Gonzalez, L. D., Kumar, R., & Zavala, V. M. (2021). Bayesian optimization with reference models: A case study in MPC for HVAC central plants. Computers and Chemical Engineering, 154, 107491. [doi]

Jiang, S., & Zavala, V. M. (2021). Convolutional neural nets in chemical engineering: Foundations, computations, and applications. AIChE Journal, e17282. [doi] [preprint]

Shin, S., & Zavala, V. M. (2021). Diffusing-Horizon Model Predictive Control. IEEE Transactions on Automatic Control, 1–1. [doi] [preprint]

Kumar, R., Wenzel, M. J., ElBsat, M. N., Risbeck, M. J., Drees, K. H., & Zavala, V. M. (2021). Dual dynamic programming for multi-scale mixed-integer MPC. Computers and Chemical Engineering, 148, 107265. [doi] [preprint]

Tominac, P. A., & Zavala, V. M. (2021). Economic properties of multi-product supply chains. Computers and Chemical Engineering, 145, 107157. [doi] [preprint]

Lu, Q., & Zavala, V. M. (2021). Image-based model predictive control via dynamic mode decomposition. Journal of Process Control, 104, 146–157. [doi] [preprint]

Ma, J., Tominac, P., Pfleger, B. F., & Zavala, V. M. (2021). Infrastructures for Phosphorus Recovery from Livestock Waste Using Cyanobacteria: Transportation, Techno-Economic, and Policy Implications. ACS Sustainable Chemistry and Engineering. [doi]

Shao, Y., Hu, Y., & Zavala, V. M. (2021). Mitigating investment risk using modular technologies. Computers and Chemical Engineering, 153, 107424. [doi] [preprint]

Sampat, A. M., Kumar, R., Pushpangatha Kurup, R., Chiu, K., Saucedo, V. M., & Zavala, V. M. (2021). Multisite supply planning for drug products under uncertainty. AIChE Journal, 67(1), e17069. [doi]

Roman, A. J., Qin, S., Zavala, V. M., & Osswald, T. A. (2021). Neural network feature and architecture optimization for injection molding surface defect prediction of model polypropylene. Polymer Engineering and Science. [doi]

Qin, S., Jin, T., Van Lehn, R. C., & Zavala, V. M. (2021). Predicting critical micelle concentrations for surfactants using graph convolutional neural networks. The Journal of Physical Chemistry B, 125(37), 10610–10620. [doi] [preprint]

Sanchez-Rivera, K. L., Zhou, P., Kim, M. S., Gonzalez Chavez, L. D., Grey, S., Nelson, K., Wang, S.-C., Hermans, I., Zavala, V. M., & Van Lehn, R. C., et al. (2021). Reducing Antisolvent Use in the STRAP Process by Enabling a Temperature-Controlled Polymer Dissolution and Precipitation for the Recycling of Multilayer Plastic Films. ChemSusChem, 14(19), 4317–4329. [doi]

Smith, A., & Zavala, V. M. (2021). The Euler characteristic: A general topological descriptor for complex data. Computers and Chemical Engineering, 154, 107463. [doi] [preprint]

Jiang, S., Xu, Z., Kamran, M., Zinchik, S., Paheding, S., McDonald, A. G., Bar-Ziv, E., & Zavala, V. M. (2021). Using ATR-FTIR spectra and convolutional neural networks for characterizing mixed plastic waste. Computers and Chemical Engineering, 155, 107547. [doi] [preprint]

Jiang, S., Noh, J., Park, C., Smith, A. D., Abbott, N. L., & Zavala, V. M. (2021). Using machine learning and liquid crystal droplets to identify and quantify endotoxins from different bacterial species. Analyst, 146(4), 1224–1233. [doi]

Sampat, A. M., Hicks, A., Ruiz-Mercado, G. J., & Zavala, V. M. (2021). Valuing economic impact reductions of nutrient pollution from livestock waste. Resources, Conservation and Recycling, 164, 105199. [doi] [preprint]

Smith, A., Keane, A., Dumesic, J. A., Huber, G. W., & Zavala, V. M. (2020). A machine learning framework for the analysis and prediction of catalytic activity from experimental data. Applied Catalysis B: Environmental, 263, 118257. [doi]

Askari, M. R., Hajizadeh, I., Rashid, M., Hobbs, N., Zavala, V. M., & Cinar, A. (2020). Adaptive-learning model predictive control for complex physiological systems: Automated insulin delivery in diabetes. Annual Reviews in Control. [doi]

Verrett, J., Boukouvala, F., Dowling, A., Ulissi, Z., & Zavala, V. M. (2020). Computational Notebooks in Chemical Engineering Curricula. Chemical Engineering Education, 54(3), 143–150. [doi]

Smith, A. D., Abbott, N. L., & Zavala, V. M. (2020). Convolutional Network Analysis of Optical Micrographs for Liquid Crystal Sensors. The Journal of Physical Chemistry C. [doi] [preprint]

Shin, S., Zavala, V. M., & Anitescu, M. (2020). Decentralized schemes with overlap for solving graph-structured optimization problems. IEEE Transactions on Control of Network Systems. [doi] [preprint]

Tominac, P., Aguirre-Villegas, H., Sanford, J., Larson, R., & Zavala, V. M. (2020). Evaluating landfill diversion strategies for municipal organic waste management using environmental and economic factors. ACS Sustainable Chemistry and Engineering, 9(1), 489–498. [doi] [preprint]

Chew, A. K., Jiang, S., Zhang, W., Zavala, V. M., & Van Lehn, R. C. (2020). Fast predictions of liquid-phase acid-catalyzed reaction rates using molecular dynamics simulations and convolutional neural networks. Chemical Science, 11(46), 12464–12476. [doi] [preprint]

Pulsipher, J. L., & Zavala, V. M. (2020). Measuring and optimizing system reliability: a stochastic programming approach. TOP, 1–20. [doi] [preprint]

Shao, Y., & Zavala, V. M. (2020). Modularity Measures: Concepts, Computation, and Applications to Manufacturing Systems. AIChE Journal, e16965. [doi]

Cao, Y., Lee, S. B., Subramanian, V. R., & Zavala, V. M. (2020). Multiscale model predictive control of battery systems for frequency regulation markets using physics-based models. Journal of Process Control, 90, 46–55. [doi] [preprint]

Nakama, C. S. M., Le Roux, G. A. C., & Zavala, V. M. (2020). Optimal constraint-based regularization for parameter estimation problems. Computers and Chemical Engineering, 139, 106873. [doi]

del Carmen Munguia-Lopez, A., Zavala, V. M., Santibanez-Aguilar, J. E., & Ponce-Ortega, J. M. (2020). Optimization of municipal solid waste management using a coordinated framework. Waste Management, 115, 15–24. [doi]

Rodriguez, J. S., Laird, C. D., & Zavala, V. M. (2020). Scalable preconditioning of block-structured linear algebra systems using ADMM. Computers and Chemical Engineering, 133, 106478. [doi] [preprint]

Kumar, R., Wenzel, M. J., ElBsat, M. N., Risbeck, M. J., Drees, K. H., & Zavala, V. M. (2020). Stochastic model predictive control for central HVAC plants. Journal of Process Control, 90, 1–17. [doi] [preprint]

Smith, A. D., Dlotko, P., & Zavala, V. M. (2020). Topological Data Analysis: Concepts, Computation, and Applications in Chemical Engineering. Computers and Chemical Engineering, 107202. [doi] [preprint]

Pulsipher, J. L., Rios, D., & Zavala, V. M. (2019). A computational framework for quantifying and analyzing system flexibility. Computers and Chemical Engineering, 126, 342–355. [doi] [preprint]

Shin, S., Hart, P., Jahns, T., & Zavala, V. M. (2019). A hierarchical optimization architecture for large-scale power networks. IEEE Transactions on Control of Network Systems, 6(3), 1004–1014. [doi] [preprint]

Cao, Y., & Zavala, V. M. (2019). A scalable global optimization algorithm for stochastic nonlinear programs. Journal of Global Optimization, 75(2), 393–416. [doi]

Pulsipher, J. L., & Zavala, V. M. (2019). A scalable stochastic programming approach for the design of flexible systems. Computers and Chemical Engineering, 128, 69–76. [doi] [preprint]

Kim, K., Petra, C. G., & Zavala, V. M. (2019). An asynchronous bundle-trust-region method for dual decomposition of stochastic mixed-integer programming. SIAM Journal on Optimization, 29(1), 318–342. [doi]

Tian, H., Lu, Q., Gopaluni, R. B., Zavala, V. M., & Olson, J. A. (2019). An economic model predictive control framework for mechanical pulping processes. Control Engineering Practice, 85, 100–109. [doi]

Kumar, R., Jalving, J., Wenzel, M. J., Ellis, M. J., ElBsat, M. N., Drees, K. H., & Zavala, V. M. (2019). Benchmarking stochastic and deterministic MPC: A case study in stationary battery systems. AIChE Journal, 65(7), e16551. [doi]

Sampat, A. M., Hu, Y., Sharara, M., Aguirre-Villegas, H., Ruiz-Mercado, G., Larson, R. A., & Zavala, V. M. (2019). Coordinated management of organic waste and derived products. Computers and Chemical Engineering, 128, 352–363. [doi]

Sampat, A. M., & Zavala, V. M. (2019). Fairness measures for decision-making and conflict resolution. Optimization and Engineering, 20(4), 1249–1272. [doi]

del Carmen Munguia-Lopez, A., Sampat, A. M., Rubio-Castro, E., Ponce-Ortega, J. M., & Zavala, V. M. (2019). Fairness-guided design of water distribution networks for agricultural lands. Computers and Chemical Engineering, 130, 106547. [doi]

Jalving, J., Cao, Y., & Zavala, V. M. (2019). Graph-Based Modeling and Simulation of Complex Systems. Computers and Chemical Engineering. [doi] [preprint]

Kumar, R., Wenzel, M. J., Ellis, M. J., ElBsat, M. N., Drees, K. H., & Zavala, V. M. (2019). Hierarchical MPC schemes for periodic systems using stochastic programming. Automatica, 107, 306–316. [doi] [preprint]

Hu, Y., Sampat, A. M., Ruiz-Mercado, G. J., & Zavala, V. M. (2019). Logistics Network Management of Livestock Waste for Spatiotemporal Control of Nutrient Pollution in Water Bodies. ACS Sustainable Chemistry and Engineering, 7(22), 18359–18374. [doi]

Shin, S., Venturelli, O. S., & Zavala, V. M. (2019). Scalable nonlinear programming framework for parameter estimation in dynamic biological system models. PLoS computational biology, 15(3), e1006828. [doi] [preprint]

Shao, Y., & Zavala, V. M. (2019). Space-time dynamics of electricity markets incentivize technology decentralization. Computers and Chemical Engineering, 127, 31–40. [doi]

Lopez-Diaz, D. C., Hu, Y., Chan, W., Ponce-Ortega, J. M., & Zavala, V. M. (2019). Systems-Level Analysis of Phosphorus Flows in the Dairy Supply Chain. ACS Sustainable Chemistry and Engineering, 7(20), 17074–17087. [doi]

Dowling, A. W., Zheng, T., & Zavala, V. M. (2018). A decomposition algorithm for simultaneous scheduling and control of CSP systems. AIChE Journal, 64(7), 2408–2417. [doi]

Pulsipher, J. L., & Zavala, V. M. (2018). A Mixed-Integer Conic Programming Formulation for Computing the Flexibility Index under Multivariate Gaussian Uncertainty. Computers and Chemical Engineering. [doi] [preprint]

Curtis, F. E., Waechter, A., & Zavala, V. M. (2018). A Sequential Algorithm for Solving Nonlinear Optimization Problems with Chance Constraints. SIAM Journal on Optimization, 28(1), 930–958. [doi]

Kumar, R., Wenzel, M. J., Ellis, M. J., ElBsat, M. N., Drees, K. H., & Zavala, V. M. (2018). A Stochastic Model Predictive Control Framework for Stationary Battery Systems. IEEE Transactions on Power Systems, 33(4), 4397. [doi]

Hu, Y., Scarborough, M., Aguirre-Villegas, H., Larson, R. A., Noguera, D. R., & Zavala, V. M. (2018). A Supply Chain Framework for the Analysis of the Recovery of Biogas and Fatty Acids from Organic Waste. ACS Sustainable Chemistry and Engineering, 6(5), 6211–6222. [doi]

Jalving, J., & Zavala, V. M. (2018). An Optimization-Based State Estimation Framework for Large-Scale Natural Gas Networks. Industrial and Engineering Chemistry Research, 57(17), 5966–5979. [doi]

Fuentes-Cortes, L. F., Ponce-Ortega, J. M., & Zavala, V. M. (2018). Balancing stakeholder priorities in the operation of combined heat and power systems. Applied Thermal Engineering, 128, 480–488. [doi]

Rodriguez, J. S., Nicholson, B., Laird, C., & Zavala, V. M. (2018). Benchmarking ADMM in Nonconvex NLPs. Computers and Chemical Engineering. [doi]

Sampat, A. M., Ruiz-Mercado, G. J., & Zavala, V. M. (2018). Economic and Environmental Analysis for Advancing Sustainable Management of Livestock Waste: A Wisconsin Case Study. ACS Sustainable Chemistry and Engineering, 6(5), 6018–6031. [doi]

Dowling, A. W., & Zavala, V. M. (2018). Economic opportunities for industrial systems from frequency regulation markets. Computers and Chemical Engineering, 114, 254–264. [doi]

Sorourifar, F., Zavala, V. M., & Dowling, A. W. (2018). Integrated Multiscale Design, Market Participation, and Replacement Strategies for Battery Energy Storage Systems. IEEE Transactions on Sustainable Energy, 11(1), 84–92. [doi]

Cao, Y., Yu, H., Abbott, N. L., & Zavala, V. M. (2018). Machine Learning Algorithms for Liquid Crystal-Based Sensors. ACS sensors, 3(11), 2237–2245. [doi]

Martin-Hernandez, E., Sampat, A. M., Zavala, V. M., & Martin, M. (2018). Optimal integrated facility for waste processing. Chemical Engineering Research and Design, 131, 160–182. [doi]

Renteria, J. A., Cao, Y., Dowling, A. W., & Zavala, V. M. (2018). Optimal PID controller tuning using stochastic programming techniques. AIChE Journal, 64(8), 2997–3010. [doi]

Nicholson, B., Siirola, J. D., Watson, J.-P., Zavala, V. M., & Biegler, L. T. (2018). pyomo.dae: A modeling and automatic discretization framework for optimization with differential and algebraic equations. Mathematical Programming Computation, 1–37. [doi]

Tovar-Facio, J., Cao, Y., Ponce-Ortega, J. M., & Zavala, V. M. (2018). Scalable Solution Strategies for Chance-Constrained Nonlinear Programs. Industrial and Engineering Chemistry Research. [doi]

Sampat, A. M., Martin-Hernandez, E., Martin, M., & Zavala, V. M. (2018). Technologies and logistics for phosphorus recovery from livestock waste. Clean Technologies and Environmental Policy, 1–17. [doi]

Cao, Y., Zavala, V. M., & D'Amato, F. (2018). Using stochastic programming and statistical extrapolation to mitigate long-term extreme loads in wind turbines. Applied Energy, 230, 1230–1241. [doi]

Fuentes-Cortes, L. F., Ma, Y., Ponce-Ortega, J. M., Ruiz-Mercado, G., & Zavala, V. M. (2018). Valuation of water and emissions in energy systems. Applied Energy, 210, 518–528. [doi]

Jalving, J., Abhyankar, S., Kim, K., Hereld, M., & Zavala, V. M. (2017). A graph-based computational framework for simulation and optimisation of coupled infrastructure networks. IET Generation, Transmission and Distribution, 11(12), 3163–3176. [doi]

Dowling, A. W., Kumar, R., & Zavala, V. M. (2017). A multi-scale optimization framework for electricity market participation. Applied Energy, 190, 147 – 164. [doi]

Yu, J., Zavala, V. M., & Anitescu, M. (2017). A scalable design of experiments framework for optimal sensor placement. Journal of Process Control. [doi]

Zavala, V. M., Kim, K., Anitescu, M., & Birge, J. (2017). A stochastic electricity market clearing formulation with consistent pricing properties. Operations Research, 65(3), 557–576. [doi]

Santos-Rodriguez, M. M., Flores-Tlacuahuac, A., & Zavala, V. M. (2017). A stochastic optimization approach for the design of organic fluid mixtures for low-temperature heat recovery. Applied Energy, 198, 145–159. [doi]

Kim, K., & Zavala, V. M. (2017). Algorithmic innovations and software for the dual decomposition method applied to stochastic mixed-integer programs. Mathematical Programming Computation, 1–42. [doi]

Chiang, N.-Y., Huang, R., & Zavala, V. M. (2017). An augmented lagrangian filter method for real-time embedded optimization. IEEE Transactions on Automatic Control, 62(12), 6110–6121. [doi]

Kim, K., Yang, F., Zavala, V. M., & Chien, A. A. (2017). Data Centers as Dispatchable Loads to Harness Stranded Power. IEEE Transactions on Sustainable Energy, 8(1), 208–218. [doi] [preprint]

Dowling, A. W., Zheng, T., & Zavala, V. M. (2017). Economic assessment of concentrated solar power technologies: A review. Renewable and Sustainable Energy Reviews, 72, 1019–1032. [doi]

Sampat, A. M., Martin, E., Martin, M., & Zavala, V. M. (2017). Optimization formulations for multi-product supply chain networks. Computers and Chemical Engineering, 104, 296–310. [doi]

Griffith, D. W., Zavala, V. M., & Biegler, L. T. (2017). Robustly stable economic NMPC for non-dissipative stage costs. Journal of Process Control, 57, 116–126. [doi]

Cao, Y., Fuentes-Cortes, L. F., Chen, S., & Zavala, V. M. (2017). Scalable modeling and solution of stochastic multiobjective optimization problems. Computers and Chemical Engineering, 99, 185–197. [doi]

Sharara, M., Sampat, A., Good, L. W., Smith, A. S., Porter, P., Zavala, V. M., Larson, R., & Runge, T. (2017). Spatially explicit methodology for coordinated manure management in shared watersheds. Journal of Environmental Management, 192, 48–56. [doi]

Lopez C, D. C., Wozny, G., Flores-Tlacuahuac, A., Vasquez-Medrano, R., & Zavala, V. M. (2016). A Computational Framework for Identifiability and Ill-Conditioning Analysis of Lithium-Ion Battery Models. Industrial and Engineering Chemistry Research, 55(11), 3026–3042. [doi]

Dowling, A. W., Ruiz-Mercado, G., & Zavala, V. M. (2016). A framework for multi-stakeholder decision-making and conflict resolution. Computers and Chemical Engineering, 90, 136–150. [doi]

Petra, C. G., Zavala, V. M., Nino-Ruiz, E. D., & Anitescu, M. (2016). A high-performance computing framework for analyzing the economic impacts of wind correlation. Electric Power Systems Research, 141, 372–380. [doi]

Chiang, N.-Y., & Zavala, V. M. (2016). An inertia-free filter line-search algorithm for large-scale nonlinear programming. Computational Optimization and Applications, 64(2), 327–354. [doi]

Cao, Y., Laird, C. D., & Zavala, V. M. (2016). Clustering-based preconditioning for stochastic programs. Computational Optimization and Applications, 64(2), 379–406. [doi]

Fuentes-Cortes, L. F., Dowling, A. W., Rubio-Maya, C., Zavala, V. M., & Ponce-Ortega, J. M. (2016). Integrated design and control of multigeneration systems for building complexes. Energy, 116, Part 2, 1403 – 1416. [doi]

Chiang, N.-Y., & Zavala, V. M. (2016). Large-scale optimal control of interconnected natural gas and electrical transmission systems. Applied Energy, 168, 226–235. [doi]

Gangammanavar, H., Sen, S., & Zavala, V. M. (2016). Stochastic Optimization of Sub-Hourly Economic Dispatch With Wind Energy. IEEE Transactions on Power Systems, 31(2), 949–959. [doi]

Morales-Valdes, P., Flores-Tlacuahuac, A., & Zavala, V. M. (2014). Analyzing the effects of comfort relaxation on energy demand flexibility of buildings: A multiobjective optimization approach. Energy and Buildings, 85, 416–426. [doi]

Zavala, V. M. (2014). Inference of building occupancy signals using moving horizon estimation and Fourier regularization. Journal of Process Control, 24(6), 714–722. [doi]

Burkhart, M. C., Heo, Y., & Zavala, V. M. (2014). Measurement and verification of building systems under uncertain data: A Gaussian process modeling approach. Energy and Buildings, 75, 189–198. [doi]

Zavala, V. M., & Anitescu, M. (2014). Scalable nonlinear programming via exact differentiable penalty functions and trust-region Newton methods. SIAM Journal on Optimization, 24(1), 528–558. [doi]

Zavala, V. M. (2014). Stochastic optimal control model for natural gas networks. Computers and Chemical Engineering, 64, 103–113. [doi]

Salazar, J. M., Diwekar, U., Constantinescu, E., & Zavala, V. M. (2013). Stochastic optimization approach to water management in cooling-constrained power plants. Applied Energy, 112, 12–22. [doi]

Heo, Y., & Zavala, V. M. (2012). Gaussian process modeling for measurement and verification of building energy savings. Energy and Buildings, 53, 7–18. [doi]

Zavala, V. M. (2012). Real-Time Optimization Strategies for Building Systems. Industrial and Engineering Chemistry Research, 52(9), 3137–3150. [doi]

Zavala, V. M., & Flores-Tlacuahuac, A. (2012). Stability of multiobjective predictive control: A utopia-tracking approach. Automatica, 48(10), 2627–2632. [doi]

Constantinescu, E. M., Zavala, V. M., Rocklin, M., Lee, S., & Anitescu, M. (2011). A computational framework for uncertainty quantification and stochastic optimization in unit commitment with wind power generation. IEEE Transactions on Power Systems, 26(1), 431–441. [doi]

Zavala, V. M., & Anitescu, M. (2010). Real-time nonlinear optimization as a generalized equation. SIAM Journal on Control and Optimization, 48(8), 5444–5467. [doi]

Zavala, V. M. (2010). Stability analysis of an approximate scheme for moving horizon estimation. Computers and Chemical Engineering, 34(10), 1662–1670. [doi]

Huang, R., Zavala, V. M., & Biegler, L. T. (2009). Advanced step nonlinear model predictive control for air separation units. Journal of Process Control, 19(4), 678–685. [doi]

Biegler, L. T., & Zavala, V. M. (2009). Large-scale nonlinear programming using IPOPT: An integrating framework for enterprise-wide dynamic optimization. Computers and Chemical Engineering, 33(3), 575–582. [doi]

Zavala, V. M., Constantinescu, E. M., Krause, T., & Anitescu, M. (2009). On-line economic optimization of energy systems using weather forecast information. Journal of Process Control, 19(10), 1725–1736. [doi]

Zavala, V. M., & Biegler, L. T. (2009). Optimization-based strategies for the operation of low-density polyethylene tubular reactors: Moving horizon estimation. Computers and Chemical Engineering, 33(1), 379–390. [doi]

Zavala, V. M., & Biegler, L. T. (2009). Optimization-based strategies for the operation of low-density polyethylene tubular reactors: nonlinear model predictive control. Computers and Chemical Engineering, 33(10), 1735–1746. [doi]

Zavala, V. M., & Biegler, L. T. (2009). The advanced-step NMPC controller: Optimality, stability and robustness. Automatica, 45(1), 86–93. [doi]

Zavala, V. M., Laird, C. D., & Biegler, L. T. (2008). A fast moving horizon estimation algorithm based on nonlinear programming sensitivity. Journal of Process Control, 18(9), 876–884. [doi]

Zavala, V. M., Laird, C. D., & Biegler, L. T. (2008). Fast implementations and rigorous models: Can both be accommodated in NMPC?. International Journal of Robust and Nonlinear Control, 18(8), 800–815. [doi]

Zavala, V. M., Laird, C. D., & Biegler, L. T. (2008). Interior-point decomposition approaches for parallel solution of large-scale nonlinear parameter estimation problems. Chemical Engineering Science, 63(19), 4834–4845. [doi]

Zavala, V. M., & Biegler, L. T. (2006). Large-scale parameter estimation in low-density polyethylene tubular reactors. Industrial and Engineering Chemistry Research, 45(23), 7867–7881. [doi]

Zavala, V. M., Flores-Tlacuahuac, A., & Vivaldo-Lima, E. (2006). The bifurcation behavior of a polyurethane continuous stirred tank reactor. Chemical engineering science, 61(22), 7368–7385. [doi]

Flores-Tlacuahuac, A., Zavala, V. M., & Saldivar-Guerra, E. (2005). Complex Nonlinear Behavior in the Full-Scale High-Impact Polystyrene Process. Industrial and Engineering Chemistry Research, 44(8), 2802–2814. [doi]

Zavala, V. M., Flores-Tlacuahuac, A., & Vivaldo-Lima, E. (2005). Dynamic optimization of a semi-batch reactor for polyurethane production. Chemical Engineering Science, 60(11), 3061–3079. [doi]