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Quantum dynamics can be simulated on a quantum computer by exponentiating elementary terms from the Hamiltonian in a sequential manner. However, such an implementation of Trotter steps has gate complexity depending on the total Hamiltonian…

Quantum Physics · Physics 2023-05-15 Guang Hao Low , Yuan Su , Yu Tong , Minh C. Tran

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…

The simulation of molecules is a widely anticipated application of quantum computers. However, recent studies \cite{WBCH13a,HWBT14a} have cast a shadow on this hope by revealing that the complexity in gate count of such simulations…

Quantum Physics · Physics 2015-10-05 David Poulin , M. B. Hastings , Dave Wecker , Nathan Wiebe , Andrew C. Doherty , Matthias Troyer

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…

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…

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…

Quantum simulation of the electronic structure problem is one of the most researched applications of quantum computing. The majority of quantum algorithms for this problem encode the wavefunction using $N$ Gaussian orbitals, leading to…

Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure…

Quantum Physics · Physics 2013-12-17 Borzu Toloui , Peter J. Love

We provide a new approach for compiling quantum simulation circuits that appear in Trotter, qDRIFT and multi-product formulas to Clifford and non-Clifford operations that can reduce the number of non-Clifford operations by a factor of up to…

Quantum Physics · Physics 2023-05-09 Priyanka Mukhopadhyay , Nathan Wiebe , Hong Tao Zhang

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 present a quantum algorithm for simulating quantum chemistry with gate complexity $\tilde{O}(N^{1/3} \eta^{8/3})$ where $\eta$ is the number of electrons and $N$ is the number of plane wave orbitals. In comparison, the most efficient…

Quantum Physics · Physics 2019-11-06 Ryan Babbush , Dominic W. Berry , Jarrod R. McClean , Hartmut Neven

We propose a quantum algorithm to simulate the dynamics in quantum chemistry problems. It is based on adding fresh qubits at each Trotter step, which enables a simpler implementation of the dynamics in the extended system. After each step,…

Quantum Physics · Physics 2025-02-07 Maxine Luo , J. Ignacio Cirac

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…

The quantum circuit model is the de-facto way of designing quantum algorithms. Yet any level of abstraction away from the underlying hardware incurs overhead. In the era of near-term, noisy, intermediate-scale quantum (NISQ) hardware with…

Quantum Physics · Physics 2021-08-27 Laura Clinton , Johannes Bausch , Toby Cubitt

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…

This article proposes a formalism which unifies Hamiltonian simulation techniques from different fields. This formalism leads to a competitive method to construct the Hamiltonian simulation with a comprehensible, simple-to-implement circuit…

Quantum Physics · Physics 2025-01-22 Robin Ollive , Stephane Louise

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

We provide practical simulation methods for scalar field theories on a quantum computer that yield improved asymptotics as well as concrete gate estimates for the simulation and physical qubit estimates using the surface code. We achieve…

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

Quantum simulation is a foundational application for quantum computers, projected to offer insights into complex quantum systems beyond the reach of classical computation. However, with the exception of Trotter-based methods, which suffer…

Quantum Physics · Physics 2026-02-10 Amir Kalev , Itay Hen
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