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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

Recent experimental progress in controlling neutral group-II atoms for optical clocks, and in the production of degenerate gases with group-II atoms has given rise to novel opportunities to address challenges in quantum computing and…

Quantum Physics · Physics 2011-12-02 Andrew J. Daley

We present an approach to simulating quantum computation based on a classical model that directly imitates discrete quantum systems. Qubits are represented as harmonic functions in a 2D vector space. Multiplication of qubit representations…

Quantum Physics · Physics 2009-06-30 Steven Peil

Quantum simulations of molecular systems on quantum computers often employ minimal basis sets of Gaussian orbitals. In comparison with more realistic basis sets, quantum simulations employing minimal basis sets require fewer qubits and…

Quantum Physics · Physics 2022-08-17 Stefano Barison , Davide Emilio Galli , Mario Motta

The structure and dynamics of quantum many-body systems are the result of a delicate interplay between underlying interactions, which leads to intricate entanglement structures. Despite this apparent complexity, symmetries emerge and have…

Quantum Physics · Physics 2024-01-02 Marc Illa , Caroline E. P. Robin , Martin J. Savage

The quantum circuit model is the de-facto way of designing quantum algorithms. Yet any level of abstraction away from the underlying hardware incurs overhead. In the era of near-term, noisy, intermediate-scale quantum (NISQ) hardware with…

Quantum Physics · Physics 2021-08-27 Laura Clinton , Johannes Bausch , Toby Cubitt

Quantum computers promise to revolutionise electronic simulations by overcoming the exponential scaling of many-electron problems. While electronic wave functions can be represented using a product of fermionic unitary operators, shallow…

Quantum Physics · Physics 2022-07-04 Hugh G. A. Burton , Daniel Marti-Dafcik , David P. Tew , David J. Wales

Quantum computing has recently exhibited great potentials in predicting chemical properties for various applications in drug discovery, material design, and catalyst optimization. Progress has been made in simulating small molecules, such…

We numerically analyze the feasibility of a platform-neutral, general strategy to perform quantum simulations of fermionic lattice field theories under open boundary conditions. The digital quantum simulator requires solely one- and…

Recent progress in quantum computing is paving the way for the realization of early fault-tolerant quantum computers. To maximize the utility of these devices, it is important to develop quantum algorithms that match their capabilities and…

Quantum Physics · Physics 2023-10-02 Gumaro Rendon , Peter D. Johnson

The realization of effective quantum error correction protocols remains a central challenge in the development of scalable quantum computers. Employing high-dimensional quantum systems (qudits) can offer more hardware-efficient protocols…

Quantum Physics · Physics 2025-03-18 Sumin Lim , Mikhail V. Vaganov , Junjie Liu , Arzhang Ardavan

We propose a quantum-classical hybrid algorithm to encode a given arbitrarily quantum state $\vert \Psi \rangle$ onto an optimal quantum circuit $\hat{\mathcal{C}}$ with a finite number of single- and two-qubit quantum gates. The proposed…

Quantum Physics · Physics 2024-10-16 Tomonori Shirakawa , Hiroshi Ueda , Seiji Yunoki

Quantum state preparation (QSP) for a general $n$-qubit state requires $O(2^n)$ CNOT gates and circuit depth, making exact amplitude encoding (EAE) impractical for near-term quantum hardware. We introduce an ancilla-free hybrid…

Quantum Physics · Physics 2025-12-02 Emad Rezaei Fard Boosari , Maryam Afsary

Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…

Materials Science · Physics 2020-07-07 He Ma , Marco Govoni , Giulia Galli

In this work we investigate a binned version of Quantum Phase Estimation (QPE) set out by [Somma 2019] and known as the Quantum Eigenvalue Estimation Problem (QEEP). Specifically, we determine whether the circuit decomposition techniques we…

Quantum Physics · Physics 2021-10-27 Laura Clinton , Johannes Bausch , Joel Klassen , Toby Cubitt

Due to the limitations of present-day quantum hardware, it is especially critical to design algorithms that make the best possible use of available resources. When simulating quantum many-body systems on a quantum computer, straightforward…

Quantum Physics · Physics 2021-04-07 Olivia Di Matteo , Anna McCoy , Peter Gysbers , Takayuki Miyagi , R. M. Woloshyn , Petr Navrátil

Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although…

Quantum Physics · Physics 2025-09-16 Jiaqi Leng , Joseph Li , Yuxiang Peng , Xiaodi Wu

We propose a nonvariational scheme for geometry optimization of molecules for the first-quantized eigensolver, a recently proposed framework for quantum chemistry using the probabilistic imaginary-time evolution (PITE) on a quantum…

Quantum Physics · Physics 2023-11-06 Taichi Kosugi , Hirofumi Nishi , Yuichiro Matsushita

Simulating the dynamics of electrons and other fermionic particles in quantum chemistry, materials science, and high-energy physics is one of the most promising applications of fault-tolerant quantum computers. However, the overhead in…

Quantum technologies are moving towards the development of novel hardware devices based on quantum bits (qubits). In parallel to the development of quantum devices, efficient simulation tools are needed in order to design and benchmark…

Quantum Physics · Physics 2022-09-28 Stavros Efthymiou , Marco Lazzarin , Andrea Pasquale , Stefano Carrazza