Carl D. Laird
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View article: Multiscale Perturbation Methods for Dynamic/Programmable Catalysis
Multiscale Perturbation Methods for Dynamic/Programmable Catalysis Open
View article: Domain decomposition preconditioners for Schur complement systems arising in structured nonlinear optimization problems
Domain decomposition preconditioners for Schur complement systems arising in structured nonlinear optimization problems Open
Large-scale nonlinear, nonconvex optimization problems arise in many relevant engineering applications, such as integrated energy systems, public health, or supply-chain logistics. Their solution is often challenging due to problem scale, …
View article: Mapping uncertainty using differentiable programming
Mapping uncertainty using differentiable programming Open
Uncertainty quantification (UQ) and propagation is a ubiquitous challenge in science, permeating our field in a general fashion, and its importance cannot be overstated. Recently, the commoditization of differentiable programming, motivate…
View article: An MIQCP Reformulation for the Optimal Synthesis of Thermally Coupled Distillation Networks
An MIQCP Reformulation for the Optimal Synthesis of Thermally Coupled Distillation Networks Open
Superstructure based approaches have long been employed for optimal process synthesis problems. Due to the difficulties of using rigorous process models and simultaneous solutions, shortcut calculations have been the preferred means of mod…
View article: GRAPSE: Graph-Based Retrieval Augmentation for Process Systems Engineering
GRAPSE: Graph-Based Retrieval Augmentation for Process Systems Engineering Open
Large Language Models have demonstrated potential in accelerating scientific discovery, but they face challenges when making inferences in rapidly evolving and niche domains like Process Systems Engineering (PSE). To address this, we propo…
View article: A Computational Framework for Cyclic Steady-State Simulation of Dynamic Catalysis Systems: Application to Ammonia Synthesis
A Computational Framework for Cyclic Steady-State Simulation of Dynamic Catalysis Systems: Application to Ammonia Synthesis Open
Dynamic or Programmable Catalysis is an innovative strategy to improve heterogeneous catalysis processes by modulating the binding energies (BE) of adsorbates on a catalytic surface. The technique enables the periodic favoring of different…
View article: Optimization models and algorithms for the Unit Commitment problem
Optimization models and algorithms for the Unit Commitment problem Open
The unit commitment problem determines the optimal strategy to meet the electricity demand at minimum cost by committing power generation units at each point of time. Solving the unit commitment problem gives rise to a challenging optimiza…
View article: Conformal Mixed-Integer Constraint Learning with Feasibility Guarantees
Conformal Mixed-Integer Constraint Learning with Feasibility Guarantees Open
We propose Conformal Mixed-Integer Constraint Learning (C-MICL), a novel framework that provides probabilistic feasibility guarantees for data-driven constraints in optimization problems. While standard Mixed-Integer Constraint Learning me…
View article: Event constrained programming
Event constrained programming Open
View article: Mixed-Integer Linear Programming Formulation with Embedded Machine Learning Surrogates for the Design of Chemical Process Families
Mixed-Integer Linear Programming Formulation with Embedded Machine Learning Surrogates for the Design of Chemical Process Families Open
There is a need for design strategies that can support rapid and widespread deployment of new energy systems and process technologies. In a previous work, we introduced process family design as an alternative method to traditional a…
View article: Optimal reactive operation of general topology supply chain and manufacturing networks under disruptions
Optimal reactive operation of general topology supply chain and manufacturing networks under disruptions Open
Supply and manufacturing networks in the chemical industry involve diverse processing steps across different locations, rendering their operation vulnerable to disruptions from unplanned events. Optimal responses should consider factors su…
View article: Integrated <i>Systems-to-Atoms</i> (S2A) Framework for Designing Resilient and Efficient Hydrogen Infrastructure Solutions
Integrated <i>Systems-to-Atoms</i> (S2A) Framework for Designing Resilient and Efficient Hydrogen Infrastructure Solutions Open
The success of a future clean hydrogen infrastructure will depend on technology performance, operating conditions, and system configuration, which will be integrated to meet specific end-use requirements. We introduce a Systems-to-Atoms fr…
View article: Optimal Reactive Operation of General Topology Supply Chain and Manufacturing Networks under Disruptions
Optimal Reactive Operation of General Topology Supply Chain and Manufacturing Networks under Disruptions Open
Supply and manufacturing networks in the chemical industry involve diverse processing steps across different locations, rendering their operation vulnerable to disruptions from unplanned events. Optimal responses should consider factors su…
View article: Multiscale optimization of formic acid dehydrogenation process via linear model decision tree surrogates
Multiscale optimization of formic acid dehydrogenation process via linear model decision tree surrogates Open
View article: A Computational Framework for Evaluating and Optimizing Critical Mineral Recovery Opportunities in Produced Water Networks
A Computational Framework for Evaluating and Optimizing Critical Mineral Recovery Opportunities in Produced Water Networks Open
In this presentation, we show a quadratically constrained optimization model to assess how operational decisions in a produced water network can meet minimum Lithium recovery concentration requirements while minimizing operating costs. We …
View article: Decomposition and Algorithmic Approaches for Solving Large-Scale Process Family Design Problems
Decomposition and Algorithmic Approaches for Solving Large-Scale Process Family Design Problems Open
Our most recent work expands the water desalination case study from 76 variants to 10,897 variants using the equation-oriented model built in Pyomo as part of the PARETO project. Using the discretization formulation presented in Stinchfiel…
View article: CI-MOR Final Report: Analysis and Validation of Critical Infrastructure Models using Model Order Reduction
CI-MOR Final Report: Analysis and Validation of Critical Infrastructure Models using Model Order Reduction Open
This report summarizes the research and capabilities developed as part of the project “Analysis and Validation of Critical Infrastructure Models using Model Order Reduction” (CI-MOR) LDRD project. CI-MOR research enables the solution of la…
View article: Optimal Design Approaches for Cost-Effective Manufacturing & Deployment of Chemical Process Families with Economies of Numbers
Optimal Design Approaches for Cost-Effective Manufacturing & Deployment of Chemical Process Families with Economies of Numbers Open
This work builds on our optimization formulation for process family design and extends it to explicitly include the benefits of economies of numbers. Economies of numbers (sometimes referred to as economies of learning) is a well-documente…
View article: Optimal Membrane Cascade Design for Critical Mineral Recovery through Logic-based Superstructure Optimization
Optimal Membrane Cascade Design for Critical Mineral Recovery through Logic-based Superstructure Optimization Open
In this work, we extend the superstructure model proposed by Wamble et al. (2022) that considers feed input locations, recycling strategies, split fractions, stage numbers, and membrane area. We include the total number of stages as a deci…
View article: Optimal Design Approaches for Cost-Effective Manufacturing and Deployment of Chemical Process Families with Economies of Numbers
Optimal Design Approaches for Cost-Effective Manufacturing and Deployment of Chemical Process Families with Economies of Numbers Open
Developing methods for rapid, large-scale deployment of carbon capture systems is critical for meeting climate change goals. Optimization-based decisions can be employed at the design and manufacturing phases to minimize the costs of deplo…
View article: Optimal Membrane Cascade Design for Critical Mineral Recovery Through Logic-based Superstructure Optimization
Optimal Membrane Cascade Design for Critical Mineral Recovery Through Logic-based Superstructure Optimization Open
Critical minerals and rare earth elements play an important role in our climate change initiatives, particularly in applications related with energy storage. Here, we use discrete optimization approaches to design a process for the recover…
View article: Progressive Hedging Decomposition for Solutions of Large-Scale Process Family Design Problems
Progressive Hedging Decomposition for Solutions of Large-Scale Process Family Design Problems Open
In previous work, we have introduced a mathematical model for solving a discretized version of the process family design problem. This involves two sets of decision variables. One set selects which unit module designs are included in the p…
View article: Progressive Hedging for Optimization of Tree Ensembles as Objective Functions
Progressive Hedging for Optimization of Tree Ensembles as Objective Functions Open
View article: Cyclic Steady-State Simulation and Waveform Design for Dynamic/Programmable Catalysis
Cyclic Steady-State Simulation and Waveform Design for Dynamic/Programmable Catalysis Open
Dynamic catalysis is a novel and promising approach that aims to improve the catalyst performance by modulating the binding energies of adsorbates to favor different reaction steps periodically. In this work, we investigate a unimolecular …
View article: Optimization of Produced Water Networks for Critical Mineral Recovery Integrated to DOE’s Produced Water Optimization Framework Pareto
Optimization of Produced Water Networks for Critical Mineral Recovery Integrated to DOE’s Produced Water Optimization Framework Pareto Open
The presentation summarizes research updates from our university subcontractors on the topic of updates within the PARETO optimization framework to enable evaluation, design, and operation of produced water networks considering opportuniti…
View article: Economies of Numbers Formulations for Optimal Process Family Design of Carbon Capture Systems
Economies of Numbers Formulations for Optimal Process Family Design of Carbon Capture Systems Open
Enabling rapid, widespread deployment of many process variants across a range of design requirements is key to ensuring the widespread availability of critical decentralized technologies such as carbon capture systems. Unfortunately, tradi…
View article: Data-driven Decision-making with the Optimization & Machine Learning Toolkit (OMLT)
Data-driven Decision-making with the Optimization & Machine Learning Toolkit (OMLT) Open
View article: A mixed integer linear programming approach for the design of chemical process families
A mixed integer linear programming approach for the design of chemical process families Open
View article: Physics-informed machine learning with optimization-based guarantees: Applications to AC power flow
Physics-informed machine learning with optimization-based guarantees: Applications to AC power flow Open
This manuscript presents a complete framework for the development and verification of physics-informed neural networks with application to the alternating-current power flow (ACPF) equations. Physics-informed neural networks (PINN)s have r…
View article: Multiscale Optimization of Formic Acid Dehydrogenation Process Via Linear Model Decision Tree Surrogates
Multiscale Optimization of Formic Acid Dehydrogenation Process Via Linear Model Decision Tree Surrogates Open