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Classical computation of electronic properties in large-scale materials remains challenging. Quantum computation has the potential to offer advantages in memory footprint and computational scaling. However, general and practical quantum…

Computational Physics · Physics 2025-10-14 Yiran Bai , Feng Xiong , Xueheng Kuang

Many quantum algorithms, such as adiabatic algorithms (e.g. AQC) and phase randomisation, require simulating Hamiltonian evolution. In addition, the simulation of physical systems is an important objective in its own right. In many cases,…

Quantum Physics · Physics 2025-03-04 Benoît Dubus , Joseph Cunningham , Jérémie Roland

Quantum Selected Configuration Interaction (QSCI) and an extended protocol known as Sample-based Quantum Diagonalization (SQD) have emerged as promising algorithms to solve the electronic Schr\"odinger equation with noisy quantum computers.…

Quantum Physics · Physics 2025-08-26 Don Danilov , Javier Robledo-Moreno , Kevin J. Sung , Mario Motta , James Shee

We apply a hybrid evolutionary algorithm to minimize the depth of circuits in quantum computing. More specifically, we evaluate two different variants of the algorithm. In the first approach, we combine the evolutionary algorithm with an…

Hamiltonian learning is crucial to the certification of quantum devices and quantum simulators. In this paper, we propose a hybrid quantum-classical Hamiltonian learning algorithm to find the coefficients of the Pauli operator components of…

Quantum Physics · Physics 2023-10-16 Youle Wang , Guangxi Li , Xin Wang

We present a quantum algorithm for approximating the real time evolution $e^{-iHt}$ of an arbitrary $d$-sparse Hamiltonian to error $\epsilon$, given black-box access to the positions and $b$-bit values of its non-zero matrix entries. The…

Quantum Physics · Physics 2019-07-15 Guang Hao Low

We construct quantum circuits which exactly encode the spectra of correlated electron models up to errors from rotation synthesis. By invoking these circuits as oracles within the recently introduced "qubitization" framework, one can use…

We develop new algorithms for Quantum Singular Value Transformation (QSVT), a unifying framework that encapsulates most known quantum algorithms and serves as the foundation for new ones. Existing implementations of QSVT rely on block…

The dynamics of a quantum system can be simulated using a quantum computer by breaking down the unitary into a quantum circuit of one and two qubit gates. The most established methods are the Trotter-Suzuki decompositions, for which…

Quantum Physics · Physics 2019-08-20 Earl Campbell

Determining the ground state of a many-body Hamiltonian is a central problem across physics, chemistry, and combinatorial optimization, yet it is often classically intractable due to the exponential growth of Hilbert space with system size.…

Quantum Physics · Physics 2026-02-24 Jungyun Lee , Daniel K. Park

Preparing the ground state of a Hamiltonian is a problem of great significance in physics with deep implications in the field of combinatorial optimization. The adiabatic algorithm is known to return the ground state for sufficiently long…

Quantum Physics · Physics 2023-08-02 Benjamin F. Schiffer , Jordi Tura , J. Ignacio Cirac

Sample-based quantum diagonalization (SQD) is an algorithm for hybrid quantum-classical molecular simulation that has been of broad interest for application with noisy intermediate scale quantum (NISQ) devices. However, SQD does not always…

Quantum Physics · Physics 2025-12-05 L. Andrew Wray , Cheng-Ju Lin , Vincent Su , Hrant Gharibyan

We introduce Lindblad-like quantum tomography (L$\ell$QT) as a quantum characterization technique of time-correlated noise in quantum information processors. This approach enables the estimation of time-local master equations, including…

Quantum Physics · Physics 2025-06-17 Santiago Varona , Markus Müller , Alejandro Bermudez

We investigate the feasibility of early fault-tolerant quantum algorithms focusing on ground-state energy estimation problems. In particular, we examine the computation of the cumulative distribution function (CDF) of the spectral measure…

Generating large, non-trivial quantum chemistry test problems with known ground-state solutions remains a core challenge for benchmarking electronic structure methods. Inspired by planted-solution techniques from combinatorial optimization,…

Quantum Physics · Physics 2025-09-23 Linjun Wang , Joshua T. Cantin , Smik Patel , Ignacio Loaiza , Rick Huang , Artur F. Izmaylov

We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is…

One limitation of the variational quantum eigensolver algorithm is the large number of measurement steps required to estimate different terms in the Hamiltonian of interest. Unitary partitioning reduces this overhead by transforming the…

Quantum Physics · Physics 2021-09-01 Alexis Ralli , Peter Love , Andrew Tranter , Peter Coveney

An algorithm for constructing a $J$-orthogonal basis of the extended Krylov subspace $\mathcal{K}_{r,s}=\operatorname{range}\{u,Hu, H^2u,$ $ \ldots, $ $H^{2r-1}u, H^{-1}u, H^{-2}u, \ldots, H^{-2s}u\},$ where $H \in \mathbb{R}^{2n \times…

Numerical Analysis · Mathematics 2022-02-28 Peter Benner , Heike Faßbender , Michel-Niklas Senn

We study a variation of the Trotter-Suzuki decomposition, in which a Hamiltonian exponential is approximated by an ordered product of two-qubit operator exponentials such that the Trotter step size is enhanced for a small number of terms.…

Quantum Physics · Physics 2023-04-10 Finn Lasse Buessen , Dvira Segal , Ilia Khait

The quantum dynamics of a complex system can be efficiently described in Krylov space, the minimal subspace in which the dynamics unfolds. We apply the Krylov subspace method for Hamiltonian deformations, which provides a systematic way of…

Quantum Physics · Physics 2026-04-21 Kazutaka Takahashi , Pratik Nandy , Adolfo del Campo