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DOE OSTI2025

A Review of Quantum Computing Technologies in Power System Optimization

As modern power grids increasingly integrate variable renewable generation, distributed energy resources, and energy storage systems, classical optimization techniques are facing unprecedented challenges. This review examines the emerging application of quantum computing to overcome these challenges in power system optimization, including optimal power flow (OPF), unit commitment (UC), economic dispatch (ED), and intelligent switching and topology optimization (IS-TO). Recent research has introduced various quantum methodologies—such as gate-based, annealing-based, variational algorithms, and quantum-inspired algorithms—to address the combinatorial complexity inherent in grid reconfiguration and energy management. The review summaries the quantum algorithms, quantum devices and the power system test cases, highlighting hybrid quantum–classical strategies that leverage the complementary strengths of both paradigms. Some quantum advantages have been observed, including theoretical speedup, accurate simulation results, scalable qubit usage, efficient QUBO mapping. In particular, the review emphasizes the importance of integrating quantum optimization techniques with classical control frameworks, these hybrid approaches demonstrate the potential to improve real-time grid management and operational reliability. A significant portion of the analysis is devoted to the practical limitations of current quantum devices. Present-day quantum hardware, operating in the noisy intermediate-scale quantum (NISQ) era, remains highly sensitive to noise and limited in qubit connectivity, which constrains the scale and accuracy of implemented algorithms. The review delves into specific challenges such as the need for qubit-efficient encoding techniques and error mitigation strategies that are critical for handling real-world grid optimization problems. In addition, the work draws attention to the performance discrepancies between theoretical quantum speedups and experimental validations, underscoring the importance of rigorous benchmark studies using representative power grid test cases. In summary, this review highlights both the promise and limitations of quantum computing for power system optimization. It provides a comprehensive overview of the state-of-the-art technologies, categorizes recent advancements in algorithm design, and discusses practical considerations for implementation, and serves as an informative resource on current research. Future research directions include developing robust hybrid frameworks, advancing qubit-efficient formulations, and scaling up experimental demonstrations to confirm the theoretical advantages of quantum methods in large-scale power system operations.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Sensor System and Observer Algorithm Co-Design For Modern Internal Combustion Engine Air Management Based on H2 Optimization

This paper outlines a novel sensor selection and observer design algorithm for linear time-invariant systems with both process and measurement noise based on H 2 optimization to optimize the tradeoff between the observer error and the number of required sensors. The optimization problem is relaxed to a sequence of convex optimization problems that minimize the cost function consisting of the H 2 norm of the observer error and the weighted l 1 norm of the observer gain. An LMI formulation allows for efficient solution via semi-definite programing. The approach is applied here, for the first time, to a turbo-charged spark-ignited engine using exhaust gas circulation to determine the optimal sensor sets for real-time intake manifold burnt gas mass fraction estimation. Simulation with the candidate estimator embedded in a high fidelity engine GT-Power model demonstrates that the optimal sensor sets selected using this algorithm have the best H 2 estimation performance. Sensor redundancy is also analyzed based on the algorithm results. This algorithm is applicable for any type of modern internal combustion engines to reduce system design time and experimental efforts typically required for selecting optimal sensor sets.

Zhang, Xu↗

DOE OSTI2019

Route-Optimized Energy Management of Connected and Automated Multi-Mode Plug-In Hybrid Electric Vehicle Using Dynamic Programming

This paper presents a methodology to optimize the blending of charge-depleting (CD) and charge-sustaining (CS) modes in a multi-mode plug-in hybrid electric vehicle (PHEV) that reduces overall energy consumption when the selected route cannot be completely driven in all-electric mode. The PHEV used in this investigation is the second-generation Chevrolet Volt and as many as four instrumented vehicles were utilized simultaneously on road to acquire validation data. The optimization method used is dynamic programming (DP) paired with a reduced-order powertrain model to enable onboard embedded controller compatibility and computational efficiency in optimally blending CD, CS modes over the entire drive route. The objective of the optimizer is to enable future Connected and Automated Vehicles (CAVs) to best utilize onboard energy for minimum overall energy consumption based on speed and elevation profile information from Intelligent Transportation Systems (ITS), Internet of Things (IoT), High-definition Mapping, and onboard sensing technologies. Emphasis is placed on runtime minimization to quickly react and plan an optimal mode scheme in highly dynamic road conditions with minimal computational resources. On-road performance of the optimizer paired with automated CD and CS mode selection is evaluated on a fleet of four instrumented Chevrolet Volts in a variety of driving scenarios. Here, the results indicate variable energy savings depending on the drive route and initial battery SOC with potential ranging between 2 to 12% and less than 7 seconds initial optimization for a 24-mile drive cycle.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

Performance Analysis of an Optimization Algorithm for Metamaterial Design on the Integrated High-Performance Computing and Quantum Systems

Optimizing metamaterials with complex geometries is a big challenge. Although an active learning algorithm, combining machine learning (ML), quantum computing, and optical simulation, has emerged as an efficient optimization tool, it still faces difficulties in optimizing complex structures that have potentially high performance. In this work, we comprehensively analyze the performance of an optimization algorithm for metamaterial design on the integrated HPC and quantum systems. We demonstrate significant time advantages through message-passing interface (MPI) parallelization on the high-performance computing (HPC) system showing approximately 54% faster ML tasks and 67 times faster optical simulation against serial workloads. Furthermore, we analyze the performance of a quantum algorithm designed for optimization, which runs with various quantum simulators on a local computer or HPC-quantum system. Results showcase ~24 times speedup when executing the optimization algorithm on the HPC-quantum hybrid system. This study paves a way to optimize complex metamaterials using the integrated HPC-quantum system.

Kim, Seongmin↗

DOE OSTI2012

Cold Climates Heat Pump Design Optimization

Heat pumps provide an efficient heating method; however they suffer from sever capacity and performance degradation at low ambient conditions. This has deterred market penetration in cold climates. There is a continuing effort to find an efficient air source cold climate heat pump that maintains acceptable capacity and performance at low ambient conditions. Systematic optimization techniques provide a reliable approach for the design of such systems. This paper presents a step-by-step approach for the design optimization of cold climate heat pumps. We first start by describing the optimization problem: objective function, constraints, and design space. Then we illustrate how to perform this design optimization using an open source publically available optimization toolbox. The response of the heat pump design was evaluated using a validated component based vapor compression model. This model was treated as a black box model within the optimization framework. Optimum designs for different system configurations are presented. These optimum results were further analyzed to understand the performance tradeoff and selection criteria. The paper ends with a discussion on the use of systematic optimization for the cold climate heat pump design.

Abdelaziz, Omar↗

DOE OSTI2012

Optimal control system design of an acid gas removal unit for an IGCC power plants with CO2 capture

Future IGCC plants with CO{sub 2} capture should be operated optimally in the face of disturbances without violating operational and environmental constraints. To achieve this goal, a systematic approach is taken in this work to design the control system of a selective, dual-stage Selexol-based acid gas removal (AGR) unit for a commercial-scale integrated gasification combined cycle (IGCC) power plant with pre-combustion CO{sub 2} capture. The control system design is performed in two stages with the objective of minimizing the auxiliary power while satisfying operational and environmental constraints in the presence of measured and unmeasured disturbances. In the first stage of the control system design, a top-down analysis is used to analyze degrees of freedom, define an operational objective, identify important disturbances and operational/environmental constraints, and select the control variables. With the degrees of freedom, the process is optimized with relation to the operational objective at nominal operation as well as under the disturbances identified. Operational and environmental constraints active at all operations are chosen as control variables. From the results of the optimization studies, self-optimizing control variables are identified for further examination. Several methods are explored in this work for the selection of these self-optimizing control variables. Modifications made to the existing methods will be discussed in this presentation. Due to the very large number of candidate sets available for control variables and due to the complexity of the underlying optimization problem, solution of this problem is computationally expensive. For reducing the computation time, parallel computing is performed using the Distributed Computing Server (DCS®) and the Parallel Computing® toolbox from Mathworks®. The second stage is a bottom-up design of the control layers used for the operation of the process. First, the regulatory control layer is designed followed by the supervisory control layer. Finally, an optimization layer is designed. In this paper, the proposed two-stage control system design approach is applied to the AGR unit for an IGCC power plant with CO{sub 2} capture. Aspen Plus Dynamics® is used to develop the dynamic AGR process model while MATLAB is used to perform the control system design and for implementation of model predictive control (MPC).

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Integrated controls design optimization

A control system (207) for optimizing a chemical looping process of a power plant includes an optimizer (420), an income algorithm (230) and a cost algorithm (225) and a chemical looping process models. The process models are used to predict the process outputs from process input variables. Some of the process in puts and output variables are related to the income of the plant; and some others are related to the cost of the plant operations. The income algorithm (230) provides an income input to the optimizer (420) based on a plurality of input parameters (215) of the power plant. The cost algorithm (225) provides a cost input to the optimizer (420) based on a plurality of output parameters (220) of the power plant. The optimizer (420) determines an optimized operating parameter solution based on at least one of the income input and the cost input, and supplies the optimized operating parameter solution to the power plant.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2018

Optimization study of B4C filter thickness for shifting to fast spectrum at experimental position in NRAD core

The Japan Atomic Energy Agency (JAEA) has investigated an accelerator-driven system (ADS) to transmute minor actinides (MAs) partitioned from the high level waste. In the nuclear transmutation system such as the ADS, the nuclear data validation of MA is required to reduce the uncertainty caused by the nuclear data of MA. In order to validate the nuclear data, many independent experimental data need to be mutually compared. The Idaho National Laboratory (INL) considers the measurement of fission rate ratio and sample worth with a wide spectral indices by inserting several types of thermal neutron shielding filters in the experimental position in Neutron RADiography (NRAD) which is the thermal neutron reactor. The JAEA has a plan to perform integral experiments with fission chambers in the NRAD because of the expansion of the experimental data contributing to nuclear data validation of MA. In this study, the optimization of the NRAD core configuration, the B4C filter thickness, and the experimental position design was conducted to acquire the high-accuracy and the beneficial experimental data by using MCNP 6.1 and ENDF/B-VII.1. First, by locating the experimental position as close to the center of the core as possible and concentrating the fuel around that position, the neutron flux of the optimized model could be constructed 2.5 times as much as that of the previous model. Second, the optimized B4C filter thickness was determined to be 3mm based on the comprehensive evaluation from the viewpoints of the shielding ability of low energy neutrons, the level of the total neutron flux, and the influence of fabrication accuracy of the B4C filter. Third, we constructed the experimental position model that could further reduce the influence of the low energy neutrons by adopting the aluminum dry box and the bottom filter. Moreover, the neutron energy spectrum of the tentative optimized model constructed by following the above results was compared with that of the fast neutron reactors such as the ADS and the Fast Critical Assembly (FCA). As a result, the tentative optimized model would be able to be obtained the beneficial experimental data for the verification of FCA-IX series data and the validation of MA nuclear data for accuracy improvement of ADS design. Furthermore, the adoption of the tentative optimized model would be acquired the experimental data such as fission reaction rate and sample worth with the wider spectral indices than the previous one because the tentative optimized model would be able to increase the ratio of the fast neutrons by almost completely eliminating the effect of the thermal neutrons.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2020

Experimental Validation of Approximate Dynamic Programming Based Optimization and Convergence on Microgrid Applications

Stochastic optimization can better address uncertainties in power system problems. However, when state space and action space become large, many existing approaches become computationally expensive and even infeasible. Approximate dynamic programming (ADP) attracts researchers’ attention as a powerful tool for solving power system optimization problems with reduced computational cost. In this paper, in light of the existing literature, we investigate how the ADP approach with post-decision value function approximation converges to the nearly optimal solution with improved computational speed and experimentally validate the performance of the approach for a microgrid energy optimization problem. The approximation error versus the number of iteration is studied for convergence analysis of the post-decision ADP. A flowchart is provided to illustrate the proposed ADP algorithm for a microgrid energy optimization problem. The performance of ADP and dynamic programming (DP) is compared in terms of optimization error and computational time. It has found that the post-decision ADP approach can achieve competitive optimality with improved computational speed compared to the traditional DP.

Das, Avijit↗

DOE OSTI2020

Do optimization methods in deep learning applications matter?

With advances in deep learning, exponential data growth and increasing model complexity, developing efficient optimization methods are attracting much research attention. Several implementations favor the use of Conjugate Gradient (CG) and Stochastic Gradient Descent (SGD) as being practical and elegant solutions to achieve quick convergence, however, these optimization processes also present many limitations in learning across deep learning applications. Recent research is exploring higher-order optimization functions as better approaches, but these present very complex computational challenges for practical use. Comparing first and higher-order optimization functions, in this paper, our experiments reveal that Levemberg-Marquardt (LM) significantly supersedes optimal convergence but suffers from very large processing time increasing the training complexity of both, classification and reinforcement learning problems. Our experiments compare off-the-shelf optimization functions(CG, SGD, LM and L-BFGS) in standard CIFAR, MNIST, CartPole and FlappyBird experiments.The paper presents arguments on which optimization functions to use and further, which functions would benefit from parallelization efforts to improve pretraining time and learning rate convergence.

Ozyildirim, Buse Melis↗

DOE OSTI2023

Heat Exchangers Circuitry Optimization using Low-GWP Refrigerants in Reversible Heat Pump Applications

Tube-fin heat exchangers (TFHX) are widely used in heat pump applications. Circuitry optimization can improve system performance. Previous optimizations focus on improving component-level performance under a specific operating condition, i.e., the TFHX either works as a condenser or an evaporator. The optimal circuitry obtained under air conditioning (AC) mode cannot guarantee optimal performance when used in heat pump (HP) mode. This study implements a bi-objective formulation to achieve optimal system performance in both AC and HP modes. An integer permutation-based Genetic Algorithm is integrated with Heat Pump Design Model (HPDM) to perform heat pump optimization. Six refrigerants, i.e., R410A, R452B, R454B, R32, D2Y60 and L41a are investigated. Case studies show that optimal heat exchangers yield 2.1%-6.1% EER improvement under AC mode and 1.9%-8.5% COP improvement under HP mode. Use of this design approach can help assure a preferable performance of reversible heat pumps during both cooling and heating mode usage.

Li, Zhenning↗

DOE OSTI2017

Hydropower Optimization Using Artificial Neural Network Surrogate Models of a High-Fidelity Hydrodynamics and Water Quality Model

Hydropower operations optimization subject to environmental constraints is limited by challenges associated with dimensionality and spatial and temporal resolution. The need for high-fidelity hydrodynamic and water quality models within optimization schemes is driven by improved computational capabilities, increased requirements to meet specific points of compliance with greater resolution, and the need to optimize operations of not just single reservoirs but systems of reservoirs. This study describes an important advancement for computing hourly power generation schemes for a hydropower reservoir using high-fidelity models, surrogate modeling techniques, and optimization methods. The predictive power of the high-fidelity hydrodynamic and water quality model CE-QUAL-W2 is successfully emulated by an artificial neural network, then integrated into a genetic algorithm optimization approach to maximize hydropower generation subject to constraints on dam operations and water quality. This methodology is applied to a multipurpose reservoir near Nashville, Tennessee, USA. The model successfully reproduced high-fidelity reservoir information while enabling 6.8% and 6.6% increases in hydropower production value relative to actual operations for dissolved oxygen (DO) limits of 5 and 6 mg/L, respectively, while witnessing an expected decrease in power generation at more restrictive DO constraints. Exploration of simultaneous temperature and DO constraints revealed capability to address multiple water quality constraints at specified locations. Here, the reduced computational requirements of the new modeling approach demonstrated an ability to provide decision support for reservoir operations scheduling while maintaining high-fidelity hydrodynamic and water quality information as part of the optimization decision support routines.

13 HYDRO ENERGY↗

DOE OSTI2025

A Scalable Interior‐Point Gauss–Newton Method for PDE‐Constrained Optimization With Bound Constraints

Here, we present a scalable approach to solve a class of partial differential equation (PDE)‐constrained optimization problems with bound constraints. This approach utilizes a robust full‐space interior‐point (IP)‐Gauss–Newton optimization method. To cope with the poorly‐conditioned IP‐Gauss–Newton saddle‐point linear systems that need to be solved approximately, once per optimization step, we propose two spectrally related preconditioners. These preconditioners leverage the limited informativeness of data in regularized PDE‐constrained optimization problems. A block Gauss–Seidel preconditioner is proposed for the GMRES‐based solution of the IP‐Gauss–Newton linear systems. It is shown, for a large‐class of PDE‐ and bound‐constrained optimization problems, that the spectrum of the block Gauss–Seidel preconditioned IP‐Gauss–Newton matrix is asymptotically independent of discretization and is not impacted by the ill‐conditioning that notoriously plagues interior‐point methods. We exploit symmetry of the IP‐Gauss–Newton linear systems and propose a regularization and log‐barrier Hessian preconditioner for the preconditioned conjugate gradient (PCG)‐based solution of the equivalent IP‐Gauss–Newton–Schur complement linear systems. The eigenvalues of the block Gauss–Seidel preconditioned IP‐Gauss–Newton matrix, that are not equal to one, are identical to the eigenvalues of the regularization and log‐barrier Hessian preconditioned Schur complement matrix. The scalability of the approach is demonstrated on two example problems. The numerical solution of these optimization problems is shown to require a discretization independent number of IP‐Gauss–Newton linear solves. Furthermore, the linear systems are solved in a discretization and IP ill‐conditioning independent number of preconditioned Krylov subspace iterations. The parallel scalability of the preconditioner, achieved via algebraic multigrid component solvers when applicable, and the aforementioned algorithmic scalability permits a parallel scalable means to compute solutions of a large class of PDE‐ and bound‐constrained problems.

PDE-constrained optimization↗

DOE OSTI2019

The use of multi-objective optimization to improve the design process of nuclear power plant systems

Multi-objective optimization is proposed to address the problem of design optimality in the nuclear power plant design process. This is done via the creation/development of the Optimization and Preference Tool for the Improvement of Nuclear Systems (OPTIONS). This work details applications of multi-objective optimization methods (in Python 3) to two different nuclear system design problems: the flash-Rankine power conversion system (PCS) of the I 2 S-LWR and the Passive Endothermic Reaction Cooling System (PERCS) attached to a standard PWR primary system (in RELAP5). The PCS design problem is first solved for three configurations using a specific particle swarm optimization method, achieving a thermodynamic efficiency of 34.81%. A new method, the Mixed-Integer Non-dominated Sorting Genetic Algorithm (MI-NSGA), is created and then used, solving a PCS superstructure of 22 configurations and achieving an efficiency of 35.63%. Finally, the OPTIONS tool is used to optimize the PERCS, improving cost, core temperature control, and cooling longevity.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2024

Simultaneous shape and topology optimization of inflatable soft robots

Simultaneous shape and topology optimization is used to design pressure-activated inflatable soft robots. The pressure loaded boundary is meshed conformingly and shape optimized, while the morphology of the robot is topology optimized. The design objective is to exert maximum force on an object, i.e. to produce soft “grippers”. The robot’s motion is modeled using nearly incompressible finite deformation hyperelasticity. To ensure stability of the robot, the buckling load factors obtained via linearized buckling analyses are constrained. The finite element method is used to evaluate the optimization cost and constraint functions and the adjoint method is employed to compute their sensitivities. The numerical examples produce pressure-driven soft robots with varying complexity. We also compare our simultaneous optimization results to those obtained via sequential topology and then shape optimization.

42 ENGINEERING↗

DOE OSTI2017

Pseudo-spectral control of a novel oscillating surge wave energy converter in regular waves for power optimization including load reduction

The aim of this study is to describe a procedure to maximize the power-to-load ratio of a novel wave energy converter (WEC) that combines an oscillating surge wave energy converter with variable structural components. The control of the power-take-off torque will be on a wave-to-wave timescale, whereas the structure will be controlled statically such that the geometry remains the same throughout the wave period. Linear hydrodynamic theory is used to calculate the upper and lower bounds for the time-averaged absorbed power and surge foundation loads while assuming that the WEC motion remains sinusoidal. Previous work using pseudo-spectral techniques to solve the optimal control problem focused solely on maximizing absorbed energy. This work extends the optimal control problem to include a measure of the surge foundation force in the optimization. The objective function includes two competing terms that force the optimizer to maximize power capture while minimizing structural loads. A penalty weight was included with the surge foundation force that allows control of the optimizer performance based on whether emphasis should be placed on power absorption or load shedding. Results from pseudo-spectral optimal control indicate that a unit reduction in time-averaged power can be accompanied by a greater reduction in surge-foundation force.

16 TIDAL AND WAVE POWER↗

DOE OSTI2021

Statistical Multiobjective Optimization of Thiospinel CoNi 2 S 4 Nanocrystal Synthesis via Design of Experiments

Thiospinels, such as CoNi 2 S 4 , are showing promise for numerous applications, including as catalysts for the hydrogen evolution reaction, hydrodesulfurization, and oxygen evolution and reduction reactions; however, CoNi 2 S 4 has not been synthesized as small, colloidal nanocrystals with high surface-area-to-volume ratios. Traditional optimization methods to control nanocrystal attributes such as size typically rely upon one variable at a time (OVAT) methods that are not only time and labor intensive but also lack the ability to identify higher-order interactions between experimental variables that affect target outcomes. Herein, we demonstrate that a statistical design of experiments (DoE) approach can optimize the synthesis of CoNi 2 S 4 nanocrystals, allowing for control over the responses of nanocrystal size, size distribution, and isolated yield. After implementing a 2 5–2 fractional factorial design, the statistical screening of five different experimental variables identified temperature, Co:Ni precursor ratio, Co:thiol ratio, and their higher-order interactions as the most critical factors in influencing the aforementioned responses. Second-order design with a Doehlert matrix yielded polynomial functions used to predict the reaction parameters needed to individually optimize all three responses. A multiobjective optimization, allowing for the simultaneous optimization of size, size distribution, and isolated yield, predicted the synthetic conditions needed to achieve a minimum nanocrystal size of 6.1 nm, a minimum polydispersity (σ/$\bar{d}$) of 10%, and a maximum isolated yield of 99%, with a desirability of 96%. The resulting model was experimentally verified by performing reactions under the specified conditions. Furthermore, our work illustrates the advantage of multivariate experimental design as a powerful tool for accelerating control and optimization in nanocrystal syntheses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Efficient wind farm layout optimization with the FLOWERS AEP model and analytic gradients

Wind farm layout optimization (WFLO) studies often aim to maximize the annual energy production (AEP) of a wind farm by choosing an arrangement of turbines that minimizes wake interactions. One way to reduce the cost of WFLO studies is by using more computationally efficient AEP models. The cost of standard AEP modeling approaches, based on the numerical integration of low-fidelity engineering wake models, scales poorly with the number of simulated discrete wind conditions. A second way to reduce cost when using a gradient-based algorithm is to supply exact gradient information instead of finite-difference estimates. However, analytical functions for the derivatives of AEP with respect to turbine positions are not always available in the conventional modeling approach. FLOWERS is a computationally inexpensive, analytical model for wind farm AEP that is specifically developed for WFLO applications. In this paper, we analyze the performance of the FLOWERS AEP model with analytic gradients in a layout optimization study compared with a reference optimization framework across three wind farm case studies. We find that the FLOWERS-based approach reduces computation time by a factor of 50–4000 and improves optimal AEP by about 0.3% with less than half of the variability in AEP across instances with randomized initial conditions. We also find the optimal layouts to be insensitive to model parameter tuning, making FLOWERS-based layout optimization a streamlined, user-friendly approach.

17 WIND ENERGY↗