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Addressing the worlds climate emergency is an uphill battle and requires a multifaceted approach including optimal deployment of green-energy alternatives. This often involve time-consuming optimisation of black-box models in a continuous parameter space. Despite recent advances in quantum computing, real-world applications have thus far been mostly confined to problems such as graph partitioning, traffic routing and task scheduling, where parameter space is discrete and graph connectivity is sparse. Here we propose the quantum nonlinear programming (QNLP) framework for casting an NLP problem - in continuous space - as quadratic unconstrained binary optimisation (QUBO), which can be subsequently solved using special-purpose solvers such as quantum annealers (QA) and coherent Ising machines (CIMs). QNLP consists of four steps: quadratic approximation of cost function, discretisation of parameter space, binarisation of discrete space, and solving the resulting QUBO. Linear and nonlinear constraints are incorporated into the resulting QUBO using slack variables and quadratic penalty terms. We apply our QNLP framework to optimisation of the daily feed rate of various biomass types at Nature Energy, the largest biogas producer in Europe. Optimising biomass selection improves the profitability of biomethane production, thus contributing to sustainable carbon-neutral energy production. For solving the QUBO, we use D-Waves quantum annealers. We observe good performance on the DW-2000Q QPU, and higher sensitivity of performance to number of samples and annealing time for the Advantage QPU. We hope that our proposed QNLP framework provides a meaningful step towards overcoming the computational challenges posed by high-dimensional continuous-optimisation problems, especially those encountered in our battle against man-made climate change.
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The purpose of this paper is to explore the applications of quantum computing to energy systems optimization problems and discuss some of the challenges faced by quantum computers with techniques to overcome them. The basic concepts underlying quantum computation and their distinctive characteristics in comparison to their classical counterparts are also discussed. Along with different hardware architecture description of two commercially available quantum systems, an example making use of open-source software tools is provided as a first step for diving into the new realm of programming quantum computers for solving systems optimization problems. The trade-off between qualities of these two quantum architectures is also discussed. Complex nature of energy systems due to their structure and large number of design and operational constraints make energy systems optimization a hard problem for most available algorithms. Problems like facility location allocation for energy systems infrastructure development, unit commitment of electric power systems operations, and heat exchanger network synthesis which fall under the category of energy systems optimization are solved using both classical algorithms implemented on conventional CPU based computer and quantum algorithm realized on quantum computing hardware. Their designs, implementation and results are stated. Additionally, this paper describes the limitations of state-of-the-art quantum computers and their great potential to impact the field of energy systems optimization.
For noisy intermediate-scale quantum (NISQ) devices only a moderate number of qubits with a limited coherence is available thus enabling only shallow circuits and a few time evolution steps in the currently performed quantum computations. Here, we present how to bypass this challenge in practical molecular chemistry simulations on NISQ devices by employing a classical-quantum hybrid algorithm allowing us to produce a sparse Hamiltonian which contains only $mathcal{O}(n^2)$ terms in a Gaussian orbital basis when compared to the $mathcal{O}(n^4)$ terms of a standard Hamiltonian, where $n$ is the number of orbitals in the system. Classical part of this hybrid entails parameterization of the sparse, fictitious Hamiltonian in such a way that it recovers the self-energy of the original molecular system. Quantum machine then uses this fictitious Hamiltonian to calculate the self-energy of the system. We show that the developed hybrid algorithm yields very good total energies for small molecular test cases while reducing the depth of the quantum circuit by at least an order of magnitude when compared with simulations involving a full Hamiltonian.
Quantum mechanics---the theory describing the fundamental workings of nature---is famously counterintuitive: it predicts that a particle can be in two places at the same time, and that two remote particles can be inextricably and instantaneously linked. These predictions have been the topic of intense metaphysical debate ever since the theorys inception early last century. However, supreme predictive power combined with direct experimental observation of some of these unusual phenomena leave little doubt as to its fundamental correctness. In fact, without quantum mechanics we could not explain the workings of a laser, nor indeed how a fridge magnet operates. Over the last several decades quantum information science has emerged to seek answers to the question: can we gain some advantage by storing, transmitting and processing information encoded in systems that exhibit these unique quantum properties? Today it is understood that the answer is yes. Many research groups around the world are working towards one of the most ambitious goals humankind has ever embarked upon: a quantum computer that promises to exponentially improve computational power for particular tasks. A number of physical systems, spanning much of modern physics, are being developed for this task---ranging from single particles of light to superconducting circuits---and it is not yet clear which, if any, will ultimately prove successful. Here we describe the latest developments for each of the leading approaches and explain what the major challenges are for the future.
Quantum neuromorphic computing physically implements neural networks in brain-inspired quantum hardware to speed up their computation. In this perspective article, we show that this emerging paradigm could make the best use of the existing and near future intermediate size quantum computers. Some approaches are based on parametrized quantum circuits, and use neural network-inspired algorithms to train them. Other approaches, closer to classical neuromorphic computing, take advantage of the physical properties of quantum oscillator assemblies to mimic neurons and compute. We discuss the different implementations of quantum neuromorphic networks with digital and analog circuits, highlight their respective advantages, and review exciting recent experimental results.
Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced, the complexity of quantum mechanics remains hard to appease. The advent of quantum computation brings new pathways to navigate this challenging complexity landscape. By manipulating quantum states of matter and taking advantage of their unique features such as superposition and entanglement, quantum computers promise to efficiently deliver accurate results for many important problems in quantum chemistry such as the electronic structure of molecules. In the past two decades significant advances have been made in developing algorithms and physical hardware for quantum computing, heralding a revolution in simulation of quantum systems. This article is an overview of the algorithms and results that are relevant for quantum chemistry. The intended audience is both quantum chemists who seek to learn more about quantum computing, and quantum computing researchers who would like to explore applications in quantum chemistry.
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