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Unitary coupled cluster (UCC), originally developed as a variational alternative to the popular traditional coupled cluster method, has seen a resurgence as a functional form for use on quantum computers. However, the number of excitors…

Chemical Physics · Physics 2021-01-07 Maria-Andreea Filip , Alex J. W. Thom

In recent years, there has been a significant progress in the development of digital quantum processors. The state-of-the-art quantum devices are imperfect, and fully-algorithmic fault-tolerant quantum computing is a matter of future. Until…

Quantum Physics · Physics 2020-05-28 D. V. Babukhin , A. A. Zhukov , W. V. Pogosov

Implementing quantum algorithms is essential for quantum computation. We study the implementation of three quantum algorithms by performing homodyne measurements on a two-dimensional temporal continuous-variable cluster state. We first…

Shallow, CNOT-efficient quantum circuits are crucial for performing accurate computational chemistry simulations on current noisy quantum hardware. Here, we explore the usefulness of non-iterative energy corrections, based on the method of…

Chemical Physics · Physics 2023-05-03 Ilias Magoulas , Francesco A. Evangelista

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

A viable approach for building large-scale quantum computers is to interlink small-scale quantum computers with a quantum network to create a larger distributed quantum computer. When designing quantum algorithms for such a distributed…

Quantum Physics · Physics 2022-04-08 Rhea Parekh , Andrea Ricciardi , Ahmed Darwish , Stephen DiAdamo

In this paper, we demonstrate that optimal control algorithms can be used to speed up the implementation of modules of quantum algorithms or quantum simulations in networks of coupled qubits. The gain is most prominent in realistic cases,…

Quantum Physics · Physics 2008-12-20 T. Schulte-Herbrueggen , A. K. Spoerl , N. Khaneja , S. J. Glaser

We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. By extending the unitary coupled cluster (UCC) theory to describe crystals in…

Quantum Physics · Physics 2022-02-16 Nobuyuki Yoshioka , Takeshi Sato , Yuya O. Nakagawa , Yu-ya Ohnishi , Wataru Mizukami

We present a comprehensive end-to-end framework for simulating the real-time dynamics of chemical systems on a fault-tolerant quantum computer, incorporating both electronic and nuclear quantum degrees of freedom. An all-particle simulation…

Understanding the impact of gate errors on quantum circuits is crucial to determining the potential applications of quantum computers, especially in the absence of large-scale error-corrected hardware. We put forward analytical arguments,…

Quantum Physics · Physics 2026-04-20 Eli Chertkov , Yi-Hsiang Chen , Michael Lubasch , David Hayes , Michael Foss-Feig

Quantum simulations of strongly interacting fermionic systems, such as those described by the Hubbard model, are promising candidates for useful early fault-tolerant quantum computing applications. This paper presents Tile Trotterization, a…

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…

The complexity of the standard hierarchy of quantum chemistry methods is not invariant to the choice of representation. This work explores how the scaling of common quantum chemistry methods can be reduced using real-space, momentum-space,…

Chemical Physics · Physics 2018-02-14 Narbe Mardirossian , James D. McClain , Garnet Kin-Lic Chan

Fluid flow simulations marshal our most powerful computational resources. In many cases, even this is not enough. Quantum computers provide an opportunity to speed up traditional algorithms for flow simulations. We show that lattice-based…

Trapped-ion quantum computers exhibit promising potential to provide platforms for high-quality qubits and reliable quantum computation. The Quantum Charge Coupled Device (QCCD) architecture is a leading example that offers a modular…

Quantum Physics · Physics 2024-10-02 Daniel Schoenberger , Stefan Hillmich , Matthias Brandl , Robert Wille

Variational quantum algorithms are a promising hybrid framework for solving chemistry and physics problems with broad applicability to optimization as well. They are particularly well suited for noisy intermediate scale quantum (NISQ)…

Quantum Physics · Physics 2021-02-18 Lucas Slattery , Benjamin Villalonga , Bryan K. Clark

Near-term large quantum computers are not able to operate as a single processing unit. It is therefore required to partition a quantum circuit into smaller parts, and then each part is executed on a small unit. This approach is known as…

It is crucial to reduce the resources required to run quantum algorithms and simulate physical systems on quantum computers due to coherence time limitations. With regards to Hamiltonian simulation, a significant effort has focused on…

Quantum Physics · Physics 2022-12-01 Diana B. Chamaki , Stuart Hadfield , Katherine Klymko , Bryan O'Gorman , Norm M. Tubman

We present a time-dependent quantum algorithm for nuclear inelastic scattering in the time-dependent basis function on qubits approach. This algorithm aims to quantum simulate a subset of the nuclear inelastic scattering problems that are…

Nuclear Theory · Physics 2021-07-28 Weijie Du , James P. Vary , Xingbo Zhao , Wei Zuo

We present the quantum-selected configuration interaction-tailored coupled-cluster (QSCI-TCC) method, a hybrid quantum-classical scheme that tailors coupled-cluster (CC) theory with a quantum-selected configuration interaction (QSCI) wave…

Chemical Physics · Physics 2025-06-23 Luca Erhart , Yuichiro Yoshida , Wataru Mizukami