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With the aim of establishing a framework to efficiently perform the practical application of quantum chemistry simulation on near-term quantum devices, we envision a hybrid quantum--classical framework for leveraging problem decomposition…

Quantum computing is viewed as a promising technology because of its potential for polynomial growth in complexity, in contrast to the exponential growth observed in its classical counterparts. In the current Noisy Intermediate-Scale…

Chemical Physics · Physics 2026-01-13 Maitreyee Sarkar , Lisa Roy , Akash Gutal , Atul Kumar , Manikandan Paranjothy

Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application requires optimizing the limited resources of the quantum…

Sample-based quantum diagonalization (SQD) constructs subspaces from computational-basis configurations obtained via measurements of a quantum state, with the goal of approximating low-energy eigenspaces of many-body Hamiltonians. The…

Quantum Physics · Physics 2026-05-07 Cedric Gaberle , Manpreet Singh Jattana

Quantum tomography is the main method used to assess the quality of quantum information processing devices, but its complexity presents a major obstacle for the characterization of even moderately large systems. The number of experimental…

Quantum Physics · Physics 2015-03-19 Marcus P. da Silva , Olivier Landon-Cardinal , David Poulin

An efficient characterization of QND measurements is an important ingredient towards certifying and improving the performance and scalability of quantum processors. In this work, we introduce a parallel tomography of QND measurements that…

Quantum Physics · Physics 2023-06-09 L. Pereira , J. J. García-Ripoll , T. Ramos

In order to quantify the relative performance of different testbed quantum computing devices, it is useful to benchmark them using a common protocol. While some benchmarks rely on the performance of random circuits and are generic in…

Quantum Physics · Physics 2022-04-20 Bryan T. Gard , Adam M. Meier

Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum…

Hybrid quantum-classical algorithms have begun to leverage quantum devices to efficiently represent many-electron wavefunctions, enabling early demonstrations of molecular simulations on real hardware. A key prerequisite for scalable…

Quantum Physics · Physics 2026-04-28 Noah Garrett , Michael Rose , David A. Mazziotti

Quantum computing is of great potential for chemical system simulations. In this study, we propose an efficient protocol of quantum computer based simulation of chemical systems which enables accurate chemical reaction modeling on noisy…

We present a framework that utilizes quantum algorithms, an architecture aware quantum noise model and an ideal simulator to benchmark quantum computers. The benchmark metrics highlight the difference between the quantum computer evolution…

Quantum Physics · Physics 2021-12-20 Konstantinos Georgopoulos , Clive Emary , Paolo Zuliani

We experimentally demonstrate that a digitized counterdiabatic quantum protocol reduces the number of topological defects created during a fast quench across a quantum phase transition. To show this, we perform quantum simulations of one-…

This study evaluates the precision of widely recognized quantum chemical methodologies, CCSD(T), DLPNO-CCSD(T) and localized ph-AFQMC, for determining the thermochemistry of main group elements. DLPNO-CCSD(T) and localized ph-AFQMC, which…

The problem of estimating the ground-state energy of a quantum system is ubiquitous in chemistry and condensed matter physics. Krylov quantum diagonalization (KQD) has emerged as a promising approach for this task. However, many KQD methods…

Quantum Physics · Physics 2025-09-30 Adam Byrne , William Kirby , Kirk M. Soodhalter , Sergiy Zhuk

Cloud-accessible quantum processors enable direct execution of quantum algorithms on heterogeneous hardware platforms. Unlike classical systems, however, identical quantum circuits may exhibit substantially different behavior across devices…

Quantum Physics · Physics 2026-01-12 Askar Oralkhan , Temirlan Zhaxalykov

Characterization of quantum dynamics is a fundamental problem in quantum physics and quantum information science. Several methods are known which achieve this goal, namely Standard Quantum Process Tomography (SQPT), Ancilla-Assisted Process…

Quantum Physics · Physics 2008-03-19 M. Mohseni , A. T. Rezakhani , D. A. Lidar

The real-time simulation of large many-body quantum systems is a formidable task, that may only be achievable with a genuine quantum computational platform. Currently, quantum hardware with a number of qubits sufficient to make classical…

Quantum Physics · Physics 2024-12-10 Alexander Miessen , Daniel J. Egger , Ivano Tavernelli , Guglielmo Mazzola

Quantum chemical calculations (QCC) are computational techniques to analyze the characteristics of molecules. The variational quantum eigensolver (VQE) designed for noisy intermediate-scale quantum (NISQ) computers can be used to calculate…

Chemical Physics · Physics 2024-01-17 Satoshi Imamura , Akihiko Kasagi , Eiji Yoshida

Quantum computational chemistry holds great promise for simulating molecular systems more efficiently than classical methods by leveraging quantum bits to represent molecular wavefunctions. However, current implementations face significant…

Quantum Physics · Physics 2025-09-10 Weitang Li , Shi-Xin Zhang , Zirui Sheng , Cunxi Gong , Jianpeng Chen , Zhigang Shuai

We report on the implementation of a quantum process tomography (QPT) technique known as direct characterization of quantum dynamics (DCQD) applied on coherent and incoherent single- qubit processes in a system of trapped calcium 40 ions.…