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We introduce novel algorithms for the quantum simulation of molecular systems which are asymptotically more efficient than those based on the Trotter-Suzuki decomposition. We present the first application of a recently developed technique…

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

Universal quantum simulation may provide insights into those many-body systems that cannot be described classically, and that cannot be efficiently simulated with current technology. The Trotter formula, which decomposes a desired unitary…

Quantum Physics · Physics 2015-06-09 George C. Knee , William J. Munro

The problem of sampling outputs of quantum circuits has been proposed as a candidate for demonstrating a quantum computational advantage (sometimes referred to as quantum "supremacy"). In this work, we investigate whether quantum advantage…

Quantum Physics · Physics 2021-06-09 Leonardo Novo , Juani Bermejo-Vega , Raúl García-Patrón

Digital quantum simulation relies on Trotterization to discretize time evolution into elementary quantum gates. On current quantum processors with notable gate imperfections, there is a critical tradeoff between improved accuracy for finer…

Quantum Physics · Physics 2024-07-09 Hongzheng Zhao , Marin Bukov , Markus Heyl , Roderich Moessner

Perturbation theory is an important technique for reducing computational cost and providing physical insights in simulating quantum systems with classical computers. Here, we provide a quantum algorithm to obtain perturbative energies on…

Quantum Physics · Physics 2023-05-17 Kosuke Mitarai , Kiichiro Toyoizumi , Wataru Mizukami

By precisely writing down the matrix element of the local Boltzmann operator, we have proposed a new path integral formulation for quantum field theory and developed a corresponding Monte Carlo algorithm. With current formula, the…

Strongly Correlated Electrons · Physics 2022-03-08 J. Wang , W. Pan , D. Y. Sun

Most investigations devoted to the conditions for adiabatic quantum computing are based on the first-order correction ${\bra{\Psi_{\rm ground}(t)}\dot H(t)\ket{\Psi_{\rm excited}(t)} /\Delta E^2(t)\ll1}$. However, it is demonstrated that…

Quantum Physics · Physics 2009-11-11 Gernot Schaller , Sarah Mostame , Ralf Schützhold

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

Quantum simulation has begun to penetrate the field of quantum chemistry in hopes of efficiently calculating ground state energies and approximating real-time evolution. With modern research highlighting nonadiabatic dynamics, tunably…

Quantum Physics · Physics 2026-05-08 Joshua M. Courtney , P. C. Stancil

Product states, unentangled tensor products of single qubits, are a ubiquitous ansatz in quantum computation, including for state-of-the-art Hamiltonian approximation algorithms. A natural question is whether we should expect to efficiently…

Quantum Physics · Physics 2025-02-12 John Kallaugher , Ojas Parekh , Kevin Thompson , Yipu Wang , Justin Yirka

Quantum annealing (QA) is a method for solving combinatorial optimization problems. We can estimate the computational time for QA using the adiabatic condition. The adiabatic condition consists of two parts: an energy gap and a transition…

Quantum Physics · Physics 2024-08-28 Hiroshi Hayasaka , Takashi Imoto , Yuichiro Matsuzaki , Shiro Kawabata

We present a quantum algorithm for finding the minimum of a function based on multistep quantum computation and apply it for optimization problems with continuous variables, in which the variables of the problem are discretized to form the…

Quantum Physics · Physics 2023-07-03 Hefeng Wang , Hua Xiang

Quantum Hamiltonian identification is important for characterizing the dynamics of quantum systems, calibrating quantum devices and achieving precise quantum control. In this paper, an effective two-step optimization (TSO) quantum…

Quantum Physics · Physics 2018-06-05 Yuanlong Wang , Daoyi Dong , Bo Qi , Jun Zhang , Ian R. Petersen , Hidehiro Yonezawa

Known as no fast-forwarding theorem in quantum computing, the simulation time for the Hamiltonian evolution needs to be $O(\|H\| t)$ in the worst case, which essentially states that one can not go across the multiple scales as the…

Quantum Physics · Physics 2025-01-30 Yonah Borns-Weil , Di Fang

The computational cost of quantum algorithms for physics and chemistry is closely linked to the spectrum of the Hamiltonian, a property that manifests in the necessary rescaling of its eigenvalues. The typical approach of using the 1-norm…

In adiabatic quantum computing the aim is to track an eigenstate as the Hamiltonian changes. In the usual setup this is achieved using the natural time-dependent Hamiltonian evolution of the system and the main technical tool is the…

Quantum Physics · Physics 2026-05-29 Joseph Cunningham , Jérémie Roland

Hamiltonian simulation, i.e., simulating the real time evolution of a target quantum system, is a natural application of quantum computing. Trotter-Suzuki splitting methods can generate corresponding quantum circuits; however, a faithful…

Quantum Physics · Physics 2024-03-21 Ayse Kotil , Rahul Banerjee , Qunsheng Huang , Christian B. Mendl

Accurately simulating long-time dynamics of many-body systems is a challenge in both classical and quantum computing due to the accumulation of Trotter errors. While low-order Trotter-Suzuki decompositions are straightforward to implement,…

Quantum Physics · Physics 2026-01-27 Marko Maležič , Johann Ostmeyer

The physics of quantum mechanics is the inspiration for, and underlies, quantum computation. As such, one expects physical intuition to be highly influential in the understanding and design of many quantum algorithms, particularly…

Quantum Physics · Physics 2017-01-06 Guang Hao Low , Isaac L. Chuang