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Simulation of quantum chemistry is expected to be a principal application of quantum computing. In quantum simulation, a complicated Hamiltonian describing the dynamics of a quantum system is decomposed into its constituent terms, where the…

Quantum Physics · Physics 2020-03-04 Yingkai Ouyang , David R. White , Earl T. Campbell

A highly anticipated use of quantum computers is the simulation of complex quantum systems including molecules and other many-body systems. One promising method involves directly applying a linear combination of unitaries (LCU) to…

Quantum Physics · Physics 2022-02-02 Richard Meister , Simon C. Benjamin , Earl T. Campbell

Trotter product formulas constitute a cornerstone quantum Hamiltonian simulation technique. However, the efficient implementation of Hamiltonian evolution of nested commutators remains an under explored area. In this work, we construct…

Quantum Physics · Physics 2025-01-22 F. Casas , A. Escorihuela-Tomàs , P. A. Moreno Casares

We consider simulating quantum systems on digital quantum computers. We show that the performance of quantum simulation can be improved by simultaneously exploiting commutativity of the target Hamiltonian, sparsity of interactions, and…

Quantum Physics · Physics 2021-07-06 Yuan Su , Hsin-Yuan Huang , Earl T. Campbell

One of the key applications for quantum computers will be the simulation of other quantum systems that arise in chemistry, materials science, etc, in order to accelerate the process of discovery. It is important to ask: Can this be achieved…

Quantum Physics · Physics 2017-07-05 Ying Li , Simon C. Benjamin

Simulation of continuous time evolution requires time discretization on both classical and quantum computers. A finer time step improves simulation precision, but it inevitably leads to increased computational efforts. This is particularly…

Quantum Physics · Physics 2023-08-16 Hongzheng Zhao , Marin Bukov , Markus Heyl , Roderich Moessner

The simulation of time evolution of large quantum systems is a classically challenging and in general intractable task, making it a promising application for quantum computation. A Trotter-Suzuki approximation yields an implementation…

Electronic structure calculations of atoms and molecules are considered to be a promising application for quantum computers. Two key algorithms, the quantum phase estimation (QPE) and the variational quantum eigensolver (VQE), have been…

Quantum Physics · Physics 2024-09-26 Kenji Sugisaki

Quantum simulation is a promising application of future quantum computers. Product formulas, or Trotterization, are the oldest and still remain an appealing method to simulate quantum systems. For an accurate product formula approximation,…

Quantum Physics · Physics 2024-11-04 Chi-Fang , Chen , Fernando G. S. L. Brandão

A complex but important challenge in understanding quantum mechanical phenomena is the simulation of quantum many-body dynamics. Although quantum computers offer significant potential to accelerate these simulations, their practical…

Quantum Physics · Physics 2025-09-26 Gian Gentinetta , Friederike Metz , Giuseppe Carleo

The recent advancements in out-of-time-ordered correlator (OTOC) measurements have provided a promising pathway to explore quantum chaos and information scrambling. However, despite recent advancements, their experimental realization…

Quantum Physics · Physics 2025-02-25 Sabyasachi Chakraborty , Rohit Sarma Sarkar , Sonjoy Majumder

An algorithm for the generation of shuttling sequences is necessary for the operation of a linear segmented ion-trap quantum computer. The present work provides an implementation of an algorithm that produces sequences proved to be optimal…

We explore the utilization of higher-order discretization techniques in optimizing the gate count needed for quantum computer based solutions of partial differential equations. To accomplish this, we present an efficient approach for…

Quantum Physics · Physics 2024-12-30 Boris Arseniev , Dmitry Guskov , Richik Sengupta , Igor Zacharov

The quantum simulation of quantum chemistry is a promising application of quantum computers. However, for N molecular orbitals, the $\mathcal{O}(N^4)$ gate complexity of performing Hamiltonian and unitary Coupled Cluster Trotter steps makes…

Computational Physics · Physics 2022-05-18 Mario Motta , Erika Ye , Jarrod R. McClean , Zhendong Li , Austin J. Minnich , Ryan Babbush , Garnet Kin-Lic Chan

The Lie-Trotter formula, together with its higher-order generalizations, provides a direct approach to decomposing the exponential of a sum of operators. Despite significant effort, the error scaling of such product formulas remains poorly…

Quantum Physics · Physics 2021-02-05 Andrew M. Childs , Yuan Su , Minh C. Tran , Nathan Wiebe , Shuchen Zhu

Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…

Quantum Physics · Physics 2024-11-05 Jakob Günther , Alberto Baiardi , Markus Reiher , Matthias Christandl

The precise description of quantum nuclear fluctuations in atomistic modelling is possible by employing path integral techniques, which involve a considerable computational overhead due to the need of simulating multiple replicas of the…

Chemical Physics · Physics 2017-03-23 Venkat Kapil , Jörg Behler , Michele Ceriotti

Simulation of quantum systems is expected to be one of the most important applications of quantum computing, with much of the theoretical work so far having focused on fermionic and spin-$\frac{1}{2}$ systems. Here, we instead consider…

The Trotter decomposition is a basic approach to Hamiltonian simulation (digital quantum simulation). The first-order Trotter decomposition is the simplest one, whose deviations from target dynamics are of the first order of a small…

Quantum Physics · Physics 2023-08-30 Takuya Hatomura

Product formulas for Trotter Suzuki simulation remain a practical route to Hamiltonian evolution on noisy intermediate scale quantum (NISQ) hardware, yet their accuracy hinges on three coupled choices: term grouping, product formula order,…

Quantum Physics · Physics 2026-05-14 WenBin Yan