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Here we describe an approach for simulating electronic structure on quantum computers with significantly lower asymptotic complexity than prior work. The approach uses a real-space first-quantised representation of the molecular Hamiltonian…

The linear combination of unitaries (LCU) method has proven to scale better than existing product formulas in simulating long time Hamiltonian dynamics. However, given the number of multi-control gate operations in the standard…

Quantum computers are believed to have the ability to process huge data sizes which can be seen in machine learning applications. In these applications, the data in general is classical. Therefore, to process them on a quantum computer,…

Quantum Physics · Physics 2023-03-02 Ammar Daskin , Rishabh Gupta , Sabre Kais

In designing quantum control, it is generally required to simulate the controlled system evolution with a classical computer. However, computing the time evolution operator can be quite resource-consuming since the total Hamiltonian is…

Quantum Physics · Physics 2022-10-25 Xiaodong Yang , Xinfang Nie , Yunlan Ji , Tao Xin , Dawei Lu , Jun Li

We present a super-polynomial improvement in the precision scaling of quantum simulations for coupled classical-quantum systems in this paper. Such systems are found, for example, in molecular dynamics simulations within the…

We develop a method to deduce the symmetry properties of many-body Hamiltonians when they are prepared in Jordan-Wigner form for evaluation on quantum computers. Symmetries, such as point-group symmetries in molecules, are apparent in the…

Quantum Physics · Physics 2024-07-08 Robert van Leeuwen

Classical simulations of quantum systems are notoriously difficult computational problems, with conventional state vector and tensor network methods restricted to quantum systems that feature only a small number of qudits. The recently…

Quantum Physics · Physics 2026-01-28 Ben Harper , Azar C. Nakhl , Thomas Quella , Martin Sevior , Muhammad Usman

We present the generalization of the CNC formalism, based on closed and noncontextual sets of Pauli observables, to the setting of odd-prime-dimensional qudits. By introducing new CNC-type phase space point operators, we construct a…

Quantum Physics · Physics 2024-07-16 Michael Zurel , Arne Heimendahl

Quantum process characterization is a fundamental task in quantum information processing, yet conventional methods, such as quantum process tomography, require prohibitive resources and lack scalability. Here, we introduce an efficient…

Quantum Physics · Physics 2025-04-11 Yusen Wu , Yukun Zhang , Chuan Wang , Xiao Yuan

Simulating quantum dynamics is one of the most important applications of quantum computers. Traditional approaches for quantum simulation involve preparing the full evolved state of the system and then measuring some physical quantity.…

Quantum Physics · Physics 2025-02-24 Rolando D. Somma , Robbie King , Robin Kothari , Thomas O'Brien , Ryan Babbush

We present efficient quantum algorithms for simulating time-dependent Hamiltonian evolution of general input states using an oracular model of a quantum computer. Our algorithms use either constant or adaptively chosen time steps and are…

Quantum Physics · Physics 2011-11-03 Nathan Wiebe , Dominic W. Berry , Peter Hoyer , Barry C. Sanders

The product formula, commonly known as Trotter decomposition, is a central tool for digital quantum simulation, whose performance depends critically on how the Hamiltonian is partitioned into tractable blocks. Standard decompositions…

Quantum Physics · Physics 2026-05-18 Naoki Negishi , Bo Yang

Quantum simulation is known to be capable of simulating certain dynamical systems in continuous time -- Schrodinger's equations being the most direct and well-known -- more efficiently than classical simulation. Any linear dynamical system…

Quantum Physics · Physics 2025-04-22 Shi Jin , Nana Liu

Efficiently simulating quantum circuits on classical computers is a fundamental challenge in quantum computing. This paper presents a novel theoretical approach that achieves substantial speedups over existing simulators for a wide class of…

Quantum Physics · Physics 2026-02-10 Daksh Shami

Solving the electronic structure problem via unitary evolution of the electronic Hamiltonian is one of the promising applications of digital quantum computers. One of the practical strategies to implement the unitary evolution is via…

Quantum Physics · Physics 2023-08-23 Luis A. Martínez-Martínez , Tzu-Ching Yen , Artur F. Izmaylov

Universal quantum computers are potentially an ideal setting for simulating many-body quantum dynamics that is out of reach for classical digital computers. We use state-of-the-art IBM quantum computers to study paradigmatic examples of…

Quantum Physics · Physics 2019-12-17 Adam Smith , M. S. Kim , Frank Pollmann , Johannes Knolle

The goal of this presentation is to highlight various computational techniques used to study dynamics of quantum many-body systems. We examine the projection and variable phase methods being applied to multi-channel problems of scattering…

Nuclear Theory · Physics 2014-12-22 Alexander Volya

We study classical simulation of quantum computation, taking the Gottesman-Knill theorem as a starting point. We show how each Clifford circuit can be reduced to an equivalent, manifestly simulatable circuit (normal form). This provides a…

Quantum Physics · Physics 2012-02-20 M. Van den Nest

Quantum computing has the potential to reduce the computational cost required for quantum dynamics simulations. However, existing quantum algorithms for coupled electron-nuclear dynamics simulation either require fault-tolerant devices, or…

Quantum Physics · Physics 2026-03-03 Jong-Kwon Ha , Ryan J. MacDonell

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
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