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Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…

Quantum Physics · Physics 2022-05-03 Christian Vorwerk , Nan Sheng , Marco Govoni , Benchen Huang , Giulia Galli

We discuss a model for quantum computing with initially mixed states. Although such a computer is known to be less powerful than a quantum computer operating with pure (entangled) states, it may efficiently solve some problems for which no…

Quantum Physics · Physics 2015-03-17 Michael Siomau , Stephan Fritzsche

Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…

Materials Science · Physics 2020-07-07 He Ma , Marco Govoni , Giulia Galli

Quantum simulation algorithms often require numerous ancilla qubits and deep circuits, prohibitive for near-term hardware. We introduce a framework for simulating quantum channels using ensembles of low-depth circuits in place of many-qubit…

Quantum Physics · Physics 2024-08-01 Joseph Peetz , Scott E. Smart , Prineha Narang

Current quantum computing hardware is restricted by the availability of only few, noisy qubits which limits the investigation of larger, more complex molecules in quantum chemistry calculations on quantum computers in the near-term. In this…

Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

Quantum Physics · Physics 2022-05-18 Alexis Ralli , Michael I. Williams , Peter V. Coveney

We present high-precision quantum computing simulations of three-body atoms (He, H$^-$) and molecules (H$_2^+$, HD$^+$), the latter being studied beyond the Born-Oppenheimer approximation. The Non-Iterative Disentangled Unitary Coupled…

Quantum Physics · Physics 2025-10-22 Mohammad Haidar , Hugo D. Nogueira , J. -Ph. Karr

Modern computation relies crucially on modular architectures, breaking a complex algorithm into self-contained subroutines. A client can then call upon a remote server to implement parts of the computation independently via an application…

Quantum chemistry provides key applications for near-term quantum computing, but these are greatly complicated by the presence of noise. In this work we present an efficient ansatz for the computation of two-electron atoms and molecules…

Quantum Physics · Physics 2020-04-23 Scott E. Smart , David A. Mazziotti

A quantum simulator is a device engineered to reproduce the properties of an ideal quantum model. It allows the study of quantum systems that cannot be efficiently simulated on classical computers. While a universal quantum computer is also…

Quantum Physics · Physics 2011-12-16 J. Casanova , C. Sabin , J. Leon , I. L. Egusquiza , R. Gerritsma , C. F. Roos , J. J. Garcia-Ripoll , E. Solano

Non-unitary theories are commonly seen in the classical simulations of quantum systems. Among these theories, the method of moments of coupled-cluster equations (MMCCs) and the ensuing classes of the renormalized coupled-cluster (CC)…

Quantum Physics · Physics 2022-12-13 Bo Peng , Karol Kowalski

We present a general scheme for performing a simulation of the dynamics of one quantum system using another. This scheme is used to experimentally simulate the dynamics of truncated quantum harmonic and anharmonic oscillators using nuclear…

Quantum Physics · Physics 2009-01-23 S. S. Somaroo , C. H. Tseng , T. F. Havel , R. Laflamme , D. G. Cory

Near-term quantum devices require wavefunction ans\"atze that are expressive while also of shallow circuit depth in order to both accurately and efficiently simulate molecular electronic structure. While unitary coupled cluster (e.g.,…

In this manuscript, we provide an overview of the recent developments of the coupled cluster (CC) downfolding methods, where the ground-state problem of a quantum system is represented through effective/downfolded Hamiltonians defined using…

Quantum Physics · Physics 2023-03-02 Nicholas P. Bauman , Bo Peng , Karol Kowalski

Quantum computing leverages the quantum resources of superposition and entanglement to efficiently solve computational problems considered intractable for classical computers. Examples include calculating molecular and nuclear structure,…

This note shows how quantum entanglement may be simulated in classical computing. The simulated entanglement protocol is implemented using oblivious transfer in the simplest case and other many-to-one mappings in more general cases. For the…

Quantum Physics · Physics 2013-01-11 Subhash Kak

This article introduces a novel approach to perform the simulation of a single qubit quantum algorithm using laser beams. Leveraging the polarization states of photonic qubits, and inspired by variational quantum eigensolvers, we develop a…

Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…

Chemical Physics · Physics 2024-05-06 Max Rossmannek , Fabijan Pavošević , Angel Rubio , Ivano Tavernelli

We consider experimentally feasible chains of trapped ions with pseudo-spin 1/2, and find models that can potentially be used to implement error-resistant quantum computation. Similar in spirit to classical neural networks, the…

Quantum Physics · Physics 2009-10-20 Sibylle Braungardt , Aditi Sen De , Ujjwal Sen , Maciej Lewenstein

The unitary coupled cluster (UCC) approximation is one of the more promising wave-function ans\"atze for electronic structure calculations on quantum computers via the variational quantum eigensolver algorithm. However, for large systems…

Quantum Physics · Physics 2021-09-30 Jia Chen , Hai-Ping Cheng , James K. Freericks