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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

A milestone in the field of quantum computing will be solving problems in quantum chemistry and materials faster than state-of-the-art classical methods. The current understanding is that achieving quantum advantage in this area will…

Quantum Physics · Physics 2023-11-08 Guoming Wang , Daniel Stilck França , Ruizhe Zhang , Shuchen Zhu , Peter D. Johnson

Under suitable assumptions, the quantum phase estimation (QPE) algorithm is able to achieve Heisenberg-limited precision scaling in estimating the ground state energy. However, QPE requires a large number of ancilla qubits and large circuit…

Quantum Physics · Physics 2022-02-04 Lin Lin , Yu Tong

Ground State Energy Estimation (GSEE) is a central problem in quantum chemistry and condensed matter physics, demanding efficient algorithms to solve complex electronic structure calculations. This work introduces a structured benchmarking…

Quantum phase estimation (QPE) serves as a building block of many different quantum algorithms and finds important applications in computational chemistry problems. Despite the rapid development of quantum hardware, experimental…

Quantum Physics · Physics 2024-03-01 Kentaro Yamamoto , Samuel Duffield , Yuta Kikuchi , David Muñoz Ramo

Significant effort in applied quantum computing has been devoted to the problem of ground state energy estimation for molecules and materials. Yet, for many applications of practical value, additional properties of the ground state must be…

Quantum Physics · Physics 2022-07-13 Ruizhe Zhang , Guoming Wang , Peter Johnson

Preparing the ground state of a given Hamiltonian and estimating its ground energy are important but computationally hard tasks. However, given some additional information, these problems can be solved efficiently on a quantum computer. We…

Quantum Physics · Physics 2020-12-16 Lin Lin , Yu Tong

Quantum algorithms for ground-state energy estimation of chemical systems require a high-quality initial state. However, initial state preparation is commonly either neglected entirely, or assumed to be solved by a simple product state like…

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…

Quantum computing is believed to be particularly useful for the simulation of chemistry and materials, among the various applications. In recent years, there have been significant advancements in the development of near-term quantum…

Quantum Physics · Physics 2022-10-12 Guoming Wang , Sukin Sim , Peter D. Johnson

Estimating the ground state energy of a multiparticle system with relative error $\e$ using deterministic classical algorithms has cost that grows exponentially with the number of particles. The problem depends on a number of state…

Quantum Physics · Physics 2013-07-23 Anargyros Papageorgiou , Iasonas Petras , Joseph F. Traub , Chi Zhang

One promising field of quantum computation is the simulation of quantum systems, and specifically, the task of ground state energy estimation (GSEE). Ground state preparation (GSP) is a crucial component in GSEE algorithms, and classical…

Quantum Physics · Physics 2024-01-11 Katerina Gratsea , Jakob S. Kottmann , Peter D. Johnson , Alexander A. Kunitsa

We consider the question of how correlated the system hardness is between classical algorithms of electronic structure theory in ground state estimation and quantum algorithms. To define the system hardness for classical algorithms we…

In recent years substantial research effort has been devoted to quantum algorithms for ground state energy estimation (GSEE) in chemistry and materials. Given the many heuristic and non-heuristic methods being developed, it is challenging…

Quantum Physics · Physics 2022-12-23 Katerina Gratsea , Chong Sun , Peter D. Johnson

We propose a general-purpose quantum algorithm for preparing ground states of quantum Hamiltonians from a given trial state. The algorithm is based on techniques recently developed in the context of solving the quantum linear systems…

Quantum Physics · Physics 2018-02-05 Yimin Ge , Jordi Tura , J. Ignacio Cirac

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

In the lead up to fault tolerance, the utility of quantum computing will be determined by how adequately the effects of noise can be circumvented in quantum algorithms. Hybrid quantum-classical algorithms such as the variational quantum…

Quantum chemistry is envisioned as an early and disruptive application for quantum computers. Yet, closer scrutiny of the proposed algorithms shows that there are considerable difficulties along the way. Here, we propose two criteria for…

Quantum Physics · Physics 2026-04-09 Thibaud Louvet , Thomas Ayral , Xavier Waintal

Variational Quantum Eigensolvers (VQEs) represent a promising approach to computing molecular ground states and energies on modern quantum computers. These approaches use a classical computer to optimize the parameters of a trial wave…

Verifying quantum advantage for practical problems, particularly the ground state energy estimation (GSEE) problem, is one of the central challenges in quantum computing theory. For that purpose, dequantization algorithms play a central…

Quantum Physics · Physics 2025-12-16 Hidetaka Manabe , Takanori Sugimoto , Keisuke Fujii
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