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Measuring the expectation value of the molecular electronic Hamiltonian is one of the challenging parts of the variational quantum eigensolver. A widely used strategy is to express the Hamiltonian as a sum of measurable fragments using…

Quantum Physics · Physics 2023-01-04 Seonghoon Choi , Ignacio Loaiza , Artur F. Izmaylov

Neural network approaches to approximate the ground state of quantum hamiltonians require the numerical solution of a highly nonlinear optimization problem. We introduce a statistical learning approach that makes the optimization trivial by…

Quantum Physics · Physics 2023-08-30 Clemens Giuliani , Filippo Vicentini , Riccardo Rossi , Giuseppe Carleo

Quantum computers offer the potential to simulate nuclear processes that are classically intractable. With the goal of understanding the necessary quantum resources to realize this potential, we employ state-of-the-art…

Estimating observable expectation values in eigenstates of quantum systems has a broad range of applications and is an area where early fault-tolerant quantum computers may provide practical quantum advantage. We develop a hybrid…

Quantum Physics · Physics 2026-03-03 Bence Bakó , Tenzan Araki , Bálint Koczor

We propose a tomographic protocol for estimating any $ k $-body reduced density matrix ($ k $-RDM) of an $ n $-mode fermionic state, a ubiquitous step in near-term quantum algorithms for simulating many-body physics, chemistry, and…

Quantum Physics · Physics 2022-10-04 Andrew Zhao , Nicholas C. Rubin , Akimasa Miyake

Quantum phase transitions materialize as level crossings in the ground-state energy when the parameters of the Hamiltonian are varied. The resulting ground-state phase diagrams are straightforward to determine by exact diagonalization on…

Quantum Physics · Physics 2021-12-10 Akhil Francis , Ephrata Zelleke , Ziyue Zhang , Alexander F. Kemper , J. K. Freericks

We present explicit expressions for the central piece of a variational method developed by Shi et al. which extends variational wave functions that are efficiently computable on classical computers beyond mean-field to generalized Gaussian…

Quantum Physics · Physics 2021-09-23 Michael P. Kaicher , Simon B. Jäger , Frank K. Wilhelm

Quantum state tomography is an essential tool for the characterization and verification of quantum states. However, as it cannot be directly applied to systems with more than a few qubits, efficient tomography of larger states on mid-sized…

Quantum Physics · Physics 2023-02-01 Yotam Y. Lifshitz , Eyal Bairey , Eli Arbel , Gadi Aleksandrowicz , Haggai Landa , Itai Arad

We propose a variational approach for preparing entangled quantum states on quantum computers. The methodology involves training a unitary operation to match with a target unitary using the Fubini-Study distance as a cost function. We…

Quantum Physics · Physics 2023-07-03 Vu Tuan Hai , Nguyen Tan Viet , Le Bin Ho

The rodeo algorithm is an efficient algorithm for eigenstate preparation and eigenvalue estimation for any observable on a quantum computer. This makes it a promising tool for studying the spectrum and structure of atomic nuclei as well as…

Quantum Physics · Physics 2024-07-24 Zhengrong Qian , Jacob Watkins , Gabriel Given , Joey Bonitati , Kenneth Choi , Dean Lee

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 simulation using time evolution in phase estimation-based quantum algorithms can yield unbiased solutions of classically intractable models. However, long runtimes open such algorithms to decoherence. We show how measurement-based…

Quantum Physics · Physics 2022-08-11 Woo-Ram Lee , Zhangjie Qin , Robert Raussendorf , Eran Sela , V. W. Scarola

We compute the ground-state properties of fully polarized, trapped, one-dimensional fermionic systems interacting through a gaussian potential. We use an antisymmetric artificial neural network, or neural quantum state, as an ansatz for the…

Nuclear Theory · Physics 2024-02-09 J. W. T. Keeble , M. Drissi , A. Rojo-Francàs , B. Juliá-Díaz , A. Rios

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

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

Many-body ground state preparation is an important subroutine used in the simulation of physical systems. In this paper, we introduce a flexible and efficient framework for obtaining a state preparation circuit for a large class of…

Quantum Physics · Physics 2024-11-05 Hyun-Soo Kim , Isaac H. Kim , Daniel Ranard

Controlled quantum mechanical devices provide a means of simulating more complex quantum systems exponentially faster than classical computers. Such "quantum simulators" rely heavily upon being able to prepare the ground state of…

Quantum Physics · Physics 2012-08-01 Dvir Kafri , Jacob M. Taylor

While quantum algorithms for simulation exhibit better asymptotic scaling than their classical counterparts, they currently cannot be implemented on real-world devices. Instead, chemists and computer scientists rely on costly classical…

Quantum Physics · Physics 2022-06-03 Christopher Kang , Nicholas P. Bauman , Sriram Krishnamoorthy , Karol Kowalski

The phase estimation algorithm is so named because it allows the estimation of the eigenvalues associated with an operator. However it has been proposed that the algorithm can also be used to generate eigenstates. Here we extend this…

Quantum Physics · Physics 2009-11-06 B. C. Travaglione , G. J. Milburn

While quantum computers are capable of simulating many quantum systems efficiently, the simulation algorithms must begin with the preparation of an appropriate initial state. We present a method for generating physically relevant quantum…

Quantum Physics · Physics 2009-05-29 Nicholas J. Ward , Ivan Kassal , Alán Aspuru-Guzik