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In power system steady-state estimation (PSSE), one needs to consider (1) the need for robust statistics, (2) the nonconvex transmission constraints, (3) the fast-varying nature of the inputs, and the corresponding need to track optimal…

Optimization and Control · Mathematics 2025-01-08 Pavel Rytir , Ales Wodecki , Martin Malachov , Pavel Baxant , Premysl Vorac , Miloslava Chladova , Jakub Marecek

The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…

Quantum Physics · Physics 2019-09-12 Michael Kühn , Sebastian Zanker , Peter Deglmann , Michael Marthaler , Horst Weiß

The ability to simulate a fermionic system on a quantum computer is expected to revolutionize chemical engineering, materials design, nuclear physics, to name a few. Thus, optimizing the simulation circuits is of significance in harnessing…

Quantum Physics · Physics 2021-07-28 Qingfeng Wang , Ming Li , Christopher Monroe , Yunseong Nam

Quantum chemistry is among the most promising applications of quantum computing, offering the potential to solve complex electronic structure problems more efficiently than classical approaches. A critical component of any quantum algorithm…

Quantum Physics · Physics 2025-06-02 Smik Patel , Praveen Jayakumar , Tzu-Ching Yen , Artur F. Izmaylov

The main bottleneck for universal quantum computation with traveling light is the preparation of Gottesman-Kitaev-Preskill states of sufficient quality. This is an extremely challenging task, experimental as well as theoretical, also…

Quantum Physics · Physics 2024-05-24 Petr Marek

Gaussian Process (GP) emulators are widely used to approximate complex computer model behaviour across the input space. Motivated by the problem of coupling computer models, recently progress has been made in the theory of the analysis of…

Applications · Statistics 2022-04-20 Victoria Volodina , Nikki Sonenberg , Peter Challenor , Jim Q. Smith

Quantum computational chemistry is a potential application of quantum computers that is expected to effectively solve several quantum-chemistry problems, particularly the electronic structure problem. Quantum computational chemistry can be…

Quantum Physics · Physics 2021-06-30 Yutaka Shikano , Hiroshi C. Watanabe , Ken M. Nakanishi , Yu-ya Ohnishi

We study the current state of the Quantum Software Engineering (QSE) ecosystem, focusing on the achievements, activities, and engagements from academia and industry, with a special focus on successful entrepreneurial endeavors in this…

Software Engineering · Computer Science 2026-01-07 Nazanin Siavash , Armin Moin

The ability of near-term quantum computers to represent classically-intractable quantum states has brought much interest in using such devices for estimating the ground and excited state energies of fermionic Hamiltonians. The usefulness of…

Quantum Physics · Physics 2021-06-10 Maxwell D. Radin , Peter Johnson

Quantum computers are reaching one crucial milestone after another. Motivated by their progress in quantum chemistry, we have performed an extensive series of simulations of quantum-computer runs that were aimed at inspecting best-practice…

Quantum Physics · Physics 2022-01-27 Ivana Miháliková , Martin Friák , Matej Pivoluska , Martin Plesch , Martin Saip , Mojmír Šob

Accurate quantum chemistry simulations remain challenging on classical computers for problems of industrially relevant sizes and there is reason for hope that quantum computing may help push the boundaries of what is technically feasible.…

Quantum Physics · Physics 2021-03-17 Vincent E. Elfving , Marta Millaruelo , José A. Gámez , Christian Gogolin

Finding ground state energies on current quantum processing units (QPUs) using algorithms like the variational quantum eigensolver (VQE) continues to pose challenges. Hardware noise severely affects both the expressivity and trainability of…

Quantum Physics · Physics 2024-10-07 João C. Getelina , Prachi Sharma , Thomas Iadecola , Peter P. Orth , Yong-Xin Yao

Quantum state engineering plays a vital role in various applications in the field of quantum information. Different strategies, including drive-and-dissipation, adiabatic cooling, and measurement-based steering, have been proposed in the…

Quantum Physics · Physics 2024-07-09 E. Medina-Guerra , Parveen Kumar , I. V. Gornyi , Yuval Gefen

Power system state estimation (PSSE) is commonly formulated as weighted least-square (WLS) algorithm and solved using iterative methods such as Gauss-Newton methods. However, iterative methods have become more sensitive to system operating…

Systems and Control · Electrical Eng. & Systems 2021-01-12 Narayan Bhusal , Raj Mani Shukla , Mukesh Gautam , Mohammed Benidris , Shamik Sengupta

We present the meta-VQE, an algorithm capable to learn the ground state energy profile of a parametrized Hamiltonian. By training the meta-VQE with a few data points, it delivers an initial circuit parametrization that can be used to…

Quantum Physics · Physics 2021-06-01 Alba Cervera-Lierta , Jakob S. Kottmann , Alán Aspuru-Guzik

The Gottesman-Kitaev-Preskill (GKP) quantum error-correcting code has emerged as a key technique in achieving fault-tolerant quantum computation using photonic systems. Whereas [Baragiola et al., Phys. Rev. Lett. 123, 200502 (2019)] showed…

Quantum Physics · Physics 2020-11-10 Hayata Yamasaki , Takaya Matsuura , Masato Koashi

The variational quantum eigensolver (VQE), a variational algorithm to obtain an approximated ground state of a given Hamiltonian, is an appealing application of near-term quantum computers. The original work [A. Peruzzo et al.; \textit{Nat.…

Quantum Physics · Physics 2019-11-06 Ken M Nakanishi , Kosuke Mitarai , Keisuke Fujii

The recent developments of quantum computing present potential novel pathways for quantum chemistry, as the increased computational power of quantum computers could be harnessed to naturally encode and solve electronic structure problems.…

Quantum Physics · Physics 2024-03-01 Lila Cadi Tazi , Alex J. W. Thom

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for computing ground state energies of molecular systems. We implement VQE to calculate the potential energy surface of the hydrogen molecule (H$_2$) across…

Quantum Physics · Physics 2026-01-16 Rylan Malarchick , Ashton Steed