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Performing large-scale, accurate quantum simulations of many-fermion systems is a central challenge in quantum science, with applications in chemistry, materials, and high-energy physics. Despite significant progress, realizing generic…

Quantum Physics · Physics 2025-09-12 Nishad Maskara , Marcin Kalinowski , Daniel Gonzalez-Cuadra , Mikhail D. Lukin

Quantum Phase Estimation is one of the most useful quantum computing algorithms for quantum chemistry and as such, significant effort has been devoted to designing efficient implementations. In this article, we introduce TFermion, a library…

Quantum Physics · Physics 2022-07-21 Pablo A. M. Casares , Roberto Campos , M. A. Martin-Delgado

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

Background: Understanding electronic interactions in protein active sites is fundamental to drug discovery and enzyme engineering, but remains computationally challenging due to exponential scaling of quantum mechanical calculations.…

Quantitative Methods · Quantitative Biology 2026-01-05 Biraja Ghoshal

We propose a method for constructing $\texttt{PREPARE}$ circuits for quantum phase estimation of a molecular Hamiltonian in quantum chemistry by using variational optimization of quantum circuits solely on classical computers. The…

Quantum Physics · Physics 2025-05-02 Hayata Morisaki , Kosuke Mitarai , Keisuke Fujii , Yuya O. Nakagawa

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

The simulation of the dynamics of a system coupled to a low-temperature environment is a promising application of quantum computers to determine ground-state properties of physical systems. However, this approach requires not only the…

Quantum Physics · Physics 2025-05-15 Tianren Wang , Zongkang Zhang , Bing-Nan Lu , Mauro Cirio , Ying Li

The phase estimation algorithm is a powerful quantum algorithm with applications in cryptography, number theory, and simulation of quantum systems. We use this algorithm to simulate the time evolution of a system of two spin-1/2 particles…

Quantum Physics · Physics 2021-05-12 Scott Johnstun , Jean-François Van Huele

Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…

Quantum Physics · Physics 2023-01-12 Karen J. Morenz Korol , Kenny Choo , Antonio Mezzacapo

We propose a Hamiltonian-based quantum state preparation method implemented via a shallow parametrized quantum circuit. The approach learns the parameters of a diagonal Hamiltonian through a classical training phase, while the quantum…

Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to…

NISQ era devices suffer from a number of challenges like limited qubit connectivity, short coherence times and sizable gate error rates. Thus, quantum algorithms are desired that require shallow circuit depths and low qubit counts to take…

State preparation is of fundamental importance in quantum physics, which can be realized by constructing the quantum circuit as a unitary that transforms the initial state to the target, or implementing a quantum control protocol to evolve…

Quantum Physics · Physics 2021-11-23 Ying Lu , Yue-Min Li , Peng-Fei Zhou , Shi-Ju Ran

Quantum state preparation is an important class of quantum algorithms that is employed as a black-box subroutine in many algorithms, or used by itself to generate arbitrary probability distributions. We present a novel state preparation…

Quantum Physics · Physics 2020-06-02 Yutaro Iiyama

A computation in adiabatic quantum computing is implemented by traversing a path of nondegenerate eigenstates of a continuous family of Hamiltonians. We introduce a method that traverses a discretized form of the path: At each step we apply…

Quantum Physics · Physics 2009-08-14 S. Boixo , E. Knill , R. D. Somma

We adapt the robust phase estimation algorithm to the evaluation of energy differences between two eigenstates using a quantum computer. This approach does not require controlled unitaries between auxiliary and system registers or even a…

Quantum Physics · Physics 2021-06-02 A. E. Russo , K. M. Rudinger , B. C. A. Morrison , A. D. Baczewski

The ground state properties of quantum many-body systems are a subject of interest across chemistry, materials science, and physics. Thus, algorithms for finding ground states can have broad impacts. Variational quantum algorithms are one…

Quantum Physics · Physics 2023-09-28 James B. Larsen , Matthew D. Grace , Andrew D. Baczewski , Alicia B. Magann

We propose a heuristic method to obtain the approximate groundstate for a Hamiltonian in the qubit form, based on the stabilizer formalism. These states may serve as proper initial states for further refined computation. It would be…

Quantum Physics · Physics 2022-09-21 Xinying Li , Jianan Wang , Chuixiong Wu , Fen Zuo

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

Estimating the ground-state energy of Hamiltonians is a fundamental task for which it is believed that quantum computers can be helpful. Several approaches have been proposed toward this goal, including algorithms based on quantum phase…

Quantum Physics · Physics 2025-11-26 Dhrumil Patel , Daniel Koch , Saahil Patel , Mark M. Wilde
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