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Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…

Quantum Physics · Physics 2023-05-30 Changsu Cao , Jinzhao Sun , Xiao Yuan , Han-Shi Hu , Hung Q. Pham , Dingshun Lv

We present an empirical analysis of the scaling of the minimal quantum circuit depth required for a variational quantum simulation (VQS) method to obtain a solution to the time evolution of a quantum system within a predefined error…

Quantum Physics · Physics 2026-04-14 Mario Ponce , Thomas Cope , Inés de Vega , Martin Leib

Imaginary time evolution is a powerful technique for computing the ground state of quantum Hamiltonians, where the convergence to ground state in asymptotic imaginary time is guaranteed. However, implementing this method on quantum…

Quantum Physics · Physics 2025-06-17 S. Alipour , T. Ojanen

Variational quantum algorithms dominate contemporary gate-based quantum enhanced optimisation, eigenvalue estimation and machine learning. Here we establish the quantum computational universality of variational quantum computation by…

Quantum Physics · Physics 2021-05-25 Jacob Biamonte

While variational quantum algorithms (VQAs) have demonstrated considerable success in unconstrained optimization, their application to constrained combinatorial problems face a trade-off. Penalty-based methods, despite their circuit…

Quantum Physics · Physics 2026-03-09 Hui-Min Li , Yuan-Liang Han , Zhi-Xi Wang , Shao-Ming Fei

Quantum dynamics for arbitrary system are traditionally realized by time evolutions of wave functions in Hilbert space and/or density operators in Liouville space. However, the traditional simulations may occasionally turn out to be…

Quantum Physics · Physics 2023-04-20 Gombojav O. Ariunbold

We propose an explicit, oracle-free quantum framework for numerically simulating general linear partial differential equations (PDEs), extending previous work to incorporate (a) Robin boundary conditions - which include Neumann and…

Quantum Physics · Physics 2026-05-27 Nikita Guseynov , Xiajie Huang , Nana Liu

The accurate computation of Hamiltonian ground, excited, and thermal states on quantum computers stands to impact many problems in the physical and computer sciences, from quantum simulation to machine learning. Given the challenges posed…

In this report, we propose a novel quantum diagonalization algorithm based on the optimization of variational quantum circuits. Diagonalizing a quantum state is a fundamental yet computationally challenging task in quantum information…

Quantum Physics · Physics 2025-05-23 Juan Yao

Recent breakthroughs have opened the possibility to intermediate-scale quantum computing with tens to hundreds of qubits, and shown the potential for solving classical challenging problems, such as in chemistry and condensed matter physics.…

Quantum Physics · Physics 2025-10-30 Zhong-Xia Shang , Ming-Cheng Chen , Xiao Yuan , Chao-Yang Lu , Jian-Wei Pan

The solution of large sparse linear systems via factorization methods such as LU or Cholesky decomposition, can be computationally expensive due to the introduction of non-zero elements, or ``fill-in.'' Graph partitioning can be used to…

Recent demonstrations of D-Wave's annealing-based quantum simulators have established new benchmarks for quantum computational advantage [arXiv:2403.00910]. However, the precise location of the classical-quantum computational frontier…

Quantum Physics · Physics 2025-03-12 Linda Mauron , Giuseppe Carleo

We study a quantum-algorithmic framework for parameterizing partial differential equations (PDEs). For a broad class of problems in which the discretized parameter field admits a diagonal representation, block-encodings of diagonal…

Quantum Physics · Physics 2026-03-03 Hiroshi Yano , Yuki Sato

We present a systematic pathway for solving differential equations within the quantum linear systems framework by combining block encoding with Quantum Singular Value Transformation (QSVT). The approach is demonstrated on a complex…

Quantum Physics · Physics 2026-05-12 Abhishek Setty

Hamiltonian diagonalization is at the heart of understanding physical properties and practical applications of quantum systems. It is highly desired to design quantum algorithms that can speedup Hamiltonian diagonalization, especially those…

Quantum Physics · Physics 2021-07-23 Jinfeng Zeng , Chenfeng Cao , Chao Zhang , Pengxiang Xu , Bei Zeng

Here we show how universal quantum computers based on the quantum circuit model can handle mathematical analysis calculations for functions with continuous domains, without any digitalization, and with remarkably few qubits. The basic…

Quantum Physics · Physics 2022-10-10 Pablo Bermejo , Roman Orus

This paper introduces the use of tailored variational forms for variational quantum eigensolver that have properties of representing certain constraints on the search domain of a linear constrained quadratic binary optimization problem…

Quantum Physics · Physics 2020-11-30 Miguel Paredes Quinones , Catarina Junqueira

We propose an efficient circuit structure of variational quantum circuit \textit{Ans\"{a}tze} used for the variational quantum eigensolver (VQE) algorithm in calculating gapped topological phases on the currently feasible noisy…

Quantum Physics · Physics 2023-08-21 Rong-Yang Sun , Tomonori Shirakawa , Seiji Yunoki

Classical simulation of real-space quantum dynamics is challenging due to the exponential scaling of computational cost with system dimensions. Quantum computer offers the potential to simulate quantum dynamics with polynomial complexity;…

Quantum Physics · Physics 2021-10-13 Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Liang Shi

Quantum algorithms for quantum dynamics simulations are traditionally based on implementing a Trotter-approximation of the time-evolution operator. This approach typically relies on deep circuits and is therefore hampered by the substantial…

Quantum Physics · Physics 2022-01-06 Alexander Miessen , Pauline J. Ollitrault , Ivano Tavernelli