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We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…

We describe an improved version of the quantum simulation method based on the implementation of a truncated Taylor series of the evolution operator. The idea is to add an extra step to the previously known algorithm which implements an…

Quantum Physics · Physics 2017-06-05 Leonardo Novo , Dominic W. Berry

A potential approach for demonstrating quantum advantage is using quantum computers to simulate fermionic systems. Quantum algorithms for fermionic system simulation usually involve the Hamiltonian evolution and measurements. However, in…

Quantum Physics · Physics 2025-05-14 Qing-Song Li , Jiaxuan Zhang , Huan-Yu Liu , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

We describe a simple, efficient method for simulating Hamiltonian dynamics on a quantum computer by approximating the truncated Taylor series of the evolution operator. Our method can simulate the time evolution of a wide variety of…

Quantum Physics · Physics 2015-03-06 Dominic W. Berry , Andrew M. Childs , Richard Cleve , Robin Kothari , Rolando D. Somma

In this work we propose an approach for implementing time-evolution of a quantum system using product formulas. The quantum algorithms we develop have provably better scaling (in terms of gate complexity and circuit depth) than a naive…

When simulating the dynamics of open quantum systems with quantum computers, it is essential to accurately approximate the system's behaviour while preserving the physicality of its evolution. Traditionally, for Markovian open quantum…

Quantum Physics · Physics 2025-12-18 I. J. David , I. Sinayskiy , F. Petruccione

We significantly enhance the simulation accuracy of initial Trotter circuits for Hamiltonian simulation of quantum systems by integrating first-order Riemannian optimization with tensor network methods. Unlike previous approaches, our…

Quantum Physics · Physics 2025-12-30 Isabel Nha Minh Le , Shuo Sun , Christian B. Mendl

One of the most promising applications of near-term quantum computing is the simulation of quantum systems, a classically intractable task. Quantum simulation requires computationally expensive matrix exponentiation; Trotter-Suzuki…

Neural and Evolutionary Computing · Computer Science 2019-04-24 Benjamin D. M. Jones , George O. O'Brien , David R. White , Earl T. Campbell , John A. Clark

Quantum computing promises transformative impacts in simulating Hamiltonian dynamics, essential for studying physical systems inaccessible by classical computing. However, existing compilation techniques for Hamiltonian simulation, in…

We provide a quantum method for simulating Hamiltonian evolution with complexity polynomial in the logarithm of the inverse error. This is an exponential improvement over existing methods for Hamiltonian simulation. In addition, its scaling…

Quantum Physics · Physics 2013-10-24 Dominic W. Berry , Richard Cleve , Rolando D. Somma

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…

Achieving an accurate description of fermionic systems typically requires considerably many more orbitals than fermions. Previous resource analyses of quantum chemistry simulation often failed to exploit this low fermionic number…

Quantum Physics · Physics 2022-05-24 Sam McArdle , Earl Campbell , Yuan Su

We present several improvements to the standard Trotter-Suzuki based algorithms used in the simulation of quantum chemistry on a quantum computer. First, we modify how Jordan-Wigner transformations are implemented to reduce their cost from…

Quantum Physics · Physics 2016-12-15 M. B. Hastings , D. Wecker , B. Bauer , M. Troyer

We report a first-of-its-kind analysis on post-Trotter simulation of U(1), SU(2) and SU(3) lattice gauge theories including fermions in arbitrary spatial dimension. We provide explicit circuit constructions as well as T-gate counts and…

Quantum Physics · Physics 2025-01-08 Mason L. Rhodes , Michael Kreshchuk , Shivesh Pathak

Recent work has deployed linear combinations of unitaries techniques to reduce the cost of fault-tolerant quantum simulations of correlated electron models. Here, we show that one can sometimes improve upon those results with optimized…

We present a quantum algorithm for simulating the dynamics of a first-quantized Hamiltonian in real space based on the truncated Taylor series algorithm. We avoid the possibility of singularities by applying various cutoffs to the system…

Quantum Physics · Physics 2017-07-07 Ian D. Kivlichan , Nathan Wiebe , Ryan Babbush , Alan Aspuru-Guzik

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

We discuss encodings of fermionic many-body systems by qubits in the presence of symmetries. Such encodings eliminate redundant degrees of freedom in a way that preserves a simple structure of the system Hamiltonian enabling quantum…

Quantum Physics · Physics 2017-01-31 Sergey Bravyi , Jay M. Gambetta , Antonio Mezzacapo , Kristan Temme

As physical implementations of quantum architectures emerge, it is increasingly important to consider the cost of algorithms for practical connectivities between qubits. We show that by using an arrangement of gates that we term the…

Quantum simulations of chemistry in first quantization offer important advantages over approaches in second quantization including faster convergence to the continuum limit and the opportunity for practical simulations outside the…

Quantum Physics · Physics 2021-12-02 Yuan Su , Dominic W. Berry , Nathan Wiebe , Nicholas Rubin , Ryan Babbush
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