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Efficient sampling from ensembles of Hamiltonian cycles is critical for predicting the thermodynamic properties of compact polymers, with applications including modeling protein and RNA folding and designing soft materials. Although…

Quantum Physics · Physics 2026-03-16 Davide Rattacaso , Daniel Jaschke , Antonio Trovato , Ilaria Siloi , Simone Montangero

The preparation of Hamiltonian eigenstates is essential for many applications in quantum computing; the efficiency with which this can be done is of key interest. A canonical approach exploits the quantum phase estimation (QPE) algorithm.…

Quantum Physics · Physics 2022-12-05 Richard Meister , Simon C. Benjamin

In this paper, we explore accelerating Hamiltonian ground state energy calculation on NISQ devices. We suggest using search-based methods together with machine learning to accelerate quantum algorithms, exemplified in the Quantum…

Quantum Physics · Physics 2026-05-11 Avner Bensoussan , Elena Chachkarova , Karine Even-Mendoza , Sophie Fortz , Connor Lenihan

One of the most promising applications for near term quantum computers is the simulation of physical quantum systems, particularly many-electron systems in chemistry and condensed matter physics. In solid state physics, finding the correct…

We present an iterative generalisation of the quantum subspace expansion algorithm used with a Krylov basis. The iterative construction connects a sequence of subspaces via their lowest energy states. Diagonalising a Hamiltonian in a given…

Quantum Physics · Physics 2025-05-07 Tom O'Leary , Lewis W. Anderson , Dieter Jaksch , Martin Kiffner

We introduce a hybrid classical-quantum algorithm to compute dynamical correlation functions and excitation spectra in many-body quantum systems, with a focus on molecular systems. The method combines classical preparation of a perturbed…

Quantum Physics · Physics 2025-10-30 Alessandro Santini , Stefano Barison , Filippo Vicentini

We present a hybrid quantum-classical algorithm to simulate thermal states of a classical Hamiltonians on a quantum computer. Our scheme employs a sequence of locally controlled rotations, building up the desired state by adding qubits one…

Quantum Physics · Physics 2015-03-17 Man-Hong Yung , Daniel Nagaj , James D. Whitfield , Alán Aspuru-Guzik

Designing quantum algorithms is a complex and counterintuitive task, making it an ideal candidate for AI-driven algorithm discovery. To this end, we employ the Hive, an AI platform for program synthesis, which utilises large language models…

Preparing the ground state of a system is an important task in physics. We propose a quantum algorithm for preparing the ground state of a physical system that can be simulated on a quantum computer. The system is coupled to an ancillary…

Quantum Physics · Physics 2018-05-14 Hefeng Wang

The Vlasov-Maxwell system of equations, which describes classical plasma physics, is extremely challenging to solve, even by numerical simulation on powerful computers. By linearizing and assuming a Maxwellian background distribution…

Quantum Physics · Physics 2019-12-19 Alexander Engel , Graeme Smith , Scott E. Parker

Solving the Anderson impurity model typically involves a two-step process, where one first calculates the ground state of the Hamiltonian, and then computes its dynamical properties to obtain the Green's function. Here we propose a hybrid…

We study the problems of state preparation, ground state preparation and quantum state preparation. We propose an analytic approach to a stochastic quantum algorithm which prepares the ground state for $n$-qubit Hamiltonian that is…

Quantum Physics · Physics 2025-12-02 Taehee Ko , Sungbin Lim

Quantum-classical hybrid algorithms are emerging as promising candidates for near-term practical applications of quantum information processors in a wide variety of fields ranging from chemistry to physics and materials science. We report…

We describe a semidefinite relaxation method which finds lower bounds to the ground state energy of a quantum Hamiltonian subject to Hermitian linear constraints along with approximations of ground state expectation values. We show that…

Strongly Correlated Electrons · Physics 2026-05-29 Michael G. Scheer

Quantum computers promise to revolutionize our ability to simulate molecules, and cloud-based hardware is becoming increasingly accessible to a wide body of researchers. Algorithms such as Quantum Phase Estimation and the Variational…

Quantum Physics · Physics 2021-12-21 Kyle Sherbert , Frank Cerasoli , Marco Buongiorno Nardelli

Gate model quantum computers with too many qubits to be simulated by available classical computers are about to arrive. We present a strategy for programming these devices without error correction or compilation. This means that the number…

Quantum Physics · Physics 2017-03-21 E. Farhi , J. Goldstone , S. Gutmann , H. Neven

The application of quantum algorithms to classical problems is generally accompanied by significant bottlenecks when transferring data between quantum and classical states, often negating any intrinsic quantum advantage. Here we address…

Quantum Physics · Physics 2025-04-03 Omer Rathore , Alastair Basden , Nicholas Chancellor , Halim Kusumaatmaja

We describe an algorithm that computes the ground state energy and correlation functions for 2-local Hamiltonians in which interactions between qubits are weak compared to single-qubit terms. The running time of the algorithm is polynomial…

Quantum Physics · Physics 2009-11-13 Sergey Bravyi , David DiVincenzo , Daniel Loss

Calculating the molecular ground-state energy is a central challenge in computational chemistry. Conventional methods such as the Complete Active Space Configuration Interaction scale exponentially with molecular size, limiting their…

Quantum Physics · Physics 2025-12-15 Stefano Bruni , Enrico Prati

We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…

Quantum Physics · Physics 2023-03-03 Kaur Kristjuhan , Mark Nicholas Jones