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Many near-term quantum computing algorithms are conceived as variational quantum algorithms, in which parameterized quantum circuits are optimized in a hybrid quantum-classical setup. Examples are variational quantum eigensolvers, quantum…

Quantum Physics · Physics 2022-05-17 Thomas Hubregtsen , Frederik Wilde , Shozab Qasim , Jens Eisert

The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…

Many quantum algorithms involve the evaluation of expectation values. Optimal strategies for estimating a single expectation value are known, requiring a number of state preparations that scales with the target error $\varepsilon$ as…

Unitary Coupled Cluster (UCC) approaches are an appealing route to utilising quantum hardware to perform quantum chemistry calculations, as quantum computers can in principle perform UCC calculations in a polynomially scaling fashion, as…

Quantum Physics · Physics 2022-06-15 Maria-Andreea Filip , Nathan Fitzpatrick , David Muñoz Ramo , Alex J. W. Thom

Variational quantum eigensolver (VQE) for electronic structure calculations is believed to be one major potential application of near term quantum computing. Among all proposed VQE algorithms, the unitary coupled cluster singles and doubles…

Quantum Physics · Physics 2020-10-13 Rongxin Xia , Sabre Kais

Optimal control is highly desirable in many current quantum systems, especially to realize tasks in quantum information processing. We introduce a method based on differentiable programming to leverage explicit knowledge of the differential…

Quantum Physics · Physics 2020-09-04 Frank Schäfer , Michal Kloc , Christoph Bruder , Niels Lörch

We present a comprehensive quantum algorithm tailored for pricing autocallable options, offering a full implementation and experimental validation. Our experiments include simulations conducted on high-performance computing (HPC) hardware,…

Quantum computing holds immense promise for simulating quantum systems, a critical task for advancing our understanding of complex quantum phenomena. One of the primary goals in this domain is to accurately approximate the ground state of…

Quantum Physics · Physics 2024-11-28 Thilo R. Müller , Manuel Geiger , Christian B. Mendl

We study free fermion systems under adaptive quantum dynamics consisting of unitary gates and projective measurements followed by corrective unitary operations. We further introduce a classical flag for each site, allowing for an active or…

Quantum Physics · Physics 2025-04-09 Vikram Ravindranath , Zhi-Cheng Yang , Xiao Chen

We introduce a novel hybrid quantum-classical algorithm for the near-term computation of expectation values in quantum systems at finite temperatures. This is based on two stages: on the first one, a mixed state approximating a fiducial…

Quantum Physics · Physics 2024-01-31 Giuseppe Clemente

We propose the variational quantum singular value decomposition based on encoding the elements of the considered { $N\times N$} matrix into the state of a quantum system of appropriate dimension. This method doesn't use the expansion of…

Quantum Physics · Physics 2025-08-05 Alexander I. Zenchuk , Wentao Qi , Junde Wu

We present a method for gradient computation in quantum algorithms implemented on linear optical quantum computing platforms. While parameter-shift rules have become a staple in qubit gate-based quantum computing for calculating gradients,…

The parameter-shift rule is an approach to measuring gradients of quantum circuits with respect to their parameters, which does not require ancilla qubits or controlled operations. Here, I discuss applying this approach to a wider range of…

Quantum Physics · Physics 2019-06-03 Gavin E. Crooks

We present a method that outputs a sequence of simple unitary operations to prepare a given quantum state that is a generalized coherent state. Our method takes as inputs the expectation values of some relevant observables on the state to…

Quantum Physics · Physics 2020-01-08 Rolando D. Somma

Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to…

Optimization of beamlines and lattices is a common problem in accelerator physics, which is usually solved with semi-analytical methods and numerical optimization routines. However, these are usually of the gradient-free or…

Accelerator Physics · Physics 2025-07-14 Francisco Huhn , Francesco M. Velotti

Obtaining the expectation value of an observable on a quantum computer is a crucial step in the variational quantum algorithms. For complicated observables such as molecular electronic Hamiltonians, a common strategy is to present the…

Quantum Physics · Physics 2022-04-20 Tzu-Ching Yen , Aadithya Ganeshram , Artur F. Izmaylov

The computation of excited electronic states is an important application for quantum computers. In this work, we simulate the excited state spectra of four aromatic heterocycles on IBM superconducting quantum computers, focusing on active…

Quantum Physics · Physics 2023-09-19 Maria A. Castellanos , Mario Motta , Julia E. Rice

We present and open source a quantum circuit simulator tailored to chemistry applications. More specifically, our simulator can compute the Born-rule probabilities of samples obtained from circuits containing passive fermionic linear…

Variational hybrid quantum-classical algorithms are promising candidates for near-term implementation on quantum computers. In these algorithms, a quantum computer evaluates the cost of a gate sequence (with speedup over classical cost…

Quantum Physics · Physics 2019-06-27 Ryan LaRose , Arkin Tikku , Étude O'Neel-Judy , Lukasz Cincio , Patrick J. Coles