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The variational quantum eigensolver is a promising way to solve the Schr\"odinger equation on a noisy intermediate-scale quantum (NISQ) computer, while its success relies on a well-designed wavefunction ansatz. Compared to physically…

Quantum Physics · Physics 2023-01-20 Xiongzhi Zeng , Yi Fan , Jie Liu , Zhenyu Li , Jinlong Yang

Parity-time ($PT$)-symmetric Hamiltonians exhibit non-unitary dynamical evolution while maintaining real spectra, and offer unique approaches to quantum sensing and entanglement generation. Here we present a method for simulating the…

Quantum Physics · Physics 2026-01-15 Maryam Abbasi , Koray Aydogan , Anthony W. Schlimgen , Kade Head-Marsden

Analog quantum optimization methods, such as quantum annealing, are promising and at least partially noise tolerant ways to solve hard optimization and sampling problems with quantum hardware. However, they have thus far failed to…

Mesoscale and Nanoscale Physics · Physics 2023-06-21 Gianni Mossi , Vadim Oganesyan , Eliot Kapit

Quantum heuristics have shown promise in solving various optimization problems, including lattice protein folding. Equally relevant is the inverse problem, protein design, where one seeks sequences that fold to a given target structure. The…

Combinatorial optimization problems pose significant computational challenges across various fields, from logistics to cryptography. Traditional computational methods often struggle with their exponential complexity, motivating exploration…

Quantum Physics · Physics 2024-09-24 Mateusz Slysz , Krzysztof Kurowski , Grzegorz Waligóra

Many of the envisioned use-cases for quantum computers involve optimisation processes. While there are many algorithmic primitives to perform the required calculations, all eventually lead to quantum gates operating on quantum bits, with an…

Quantum Physics · Physics 2026-03-26 Lukas Schmidbauer , Elisabeth Lobe , Ina Schaefer , Wolfgang Mauerer

Predicting the properties of strongly correlated materials is a significant challenge in condensed matter theory. The widely used dynamical mean-field theory faces difficulty in solving quantum impurity models numerically. Hybrid…

The connection and eventual integration of High-Performance Computing (HPC) with Quantum Computing (QC) represents a transformative advancement in computational technology, promising significant enhancements in solving complex, previously…

Variational algorithms have received significant attention in recent years due to their potential to solve practical problems using noisy intermediate-scale quantum (NISQ) devices. A fundamental step of these algorithms is the evaluation of…

Background: Understanding electronic interactions in protein active sites is fundamental to drug discovery and enzyme engineering, but remains computationally challenging due to exponential scaling of quantum mechanical calculations.…

Quantitative Methods · Quantitative Biology 2026-01-05 Biraja Ghoshal

Necessary and sufficient conditions are given for the construction of a hybrid quantum computer that operates on both continuous and discrete quantum variables. Such hybrid computers are shown to be more efficient than conventional quantum…

Quantum Physics · Physics 2007-05-23 Seth Lloyd

For quantum computing applications, the electronic Hamiltonian for the electronic structure problem needs to be unitarily transformed to a qubit form. We found that mean-field procedures on the original electronic Hamiltonian and on its…

Chemical Physics · Physics 2021-12-08 Ilya G. Ryabinkin , Scott N. Genin , Artur F. Izmaylov

There are well developed theoretical tools to analyse how quantum dynamics can solve computational problems by varying Hamiltonian parameters slowly, near the adiabatic limit. On the other hand, there are relatively few tools to understand…

Quantum Physics · Physics 2021-03-10 Adam Callison , Max Festenstein , Jie Chen , Laurentiu Nita , Viv Kendon , Nicholas Chancellor

This PhD thesis explores the potential of quantum computing to address computational challenges in high-energy physics (HEP). As the Standard Model (SM) leaves key questions unanswered and no signs of new physics have emerged since the…

Quantum Physics · Physics 2025-12-02 Jorge J. Martínez de Lejarza

An accurate description of strong correlation is quintessential for the exploration of emerging chemical phenomena. While near-term variational quantum algorithms provide a theoretically scalable framework for quantum chemical problems, the…

Quantum Physics · Physics 2025-10-20 Arpan Choudhury , Sonaldeep Halder , Rahul Maitra , Debashree Ghosh

Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…

Chemical Physics · Physics 2021-10-29 Manas Sajjan , Shree Hari Sureshbabu , Sabre Kais

Recent years have seen unprecedented advance in the design and control of quantum computers. Nonetheless, their applicability is still restricted and access remains expensive. Therefore, a substantial amount of quantum algorithms research…

Quantum Physics · Physics 2020-12-11 Thomas Grurl , Richard Kueng , Jürgen Fuß , Robert Wille

This paper presents an analysis of the fundamental limits on energy efficiency in both digital and analog in-memory computing architectures, and compares their performance to single instruction, single data (scalar) machines specifically in…

Hardware Architecture · Computer Science 2023-02-14 Patrick Bowen , Guy Regev , Nir Regev , Bruno Pedroni , Edward Hanson , Yiran Chen

Recent work [Sachdeva et al.] presented an iterative hybrid quantum variational optimization algorithm designed by Q-CTRL and executed on IBM gate-based quantum processing units (QPUs), claiming a significant performance advantage against a…

Quantum Physics · Physics 2024-06-28 Catherine C. McGeoch , Kevin Chern , Pau Farré , Andrew K. King

Fault-tolerant quantum computations require alternating quantum and classical computations, where the classical computations prove vital in detecting and correcting errors in the quantum computation. Recently, interest in using these…

Quantum Physics · Physics 2025-09-09 Niels M. P. Neumann