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Classical simulation of quantum computers is an irreplaceable step in the design of quantum algorithms. Exponential simulation costs demand the use of high-performance computing techniques, and in particular distribution, whereby the…

Quantum Physics · Physics 2023-11-06 Tyson Jones , Bálint Koczor , Simon C. Benjamin

Efficiently mapping quantum programs onto Distributed quantum computing (DQC) are challenging, particularly when considering the heterogeneous quantum processing units (QPUs) with different structures. In this paper, we present a…

Quantum Physics · Physics 2026-01-06 Ruilin Zhou , Jinglei Cheng , Yuhang Gan , Junyu Liu , Chen Qian

Compilation optimizes quantum algorithms performances on real-world quantum computers. To date, it is performed via classical optimization strategies. We introduce a class of quantum algorithms to perform compilation via quantum computers,…

Quantum Physics · Physics 2025-09-25 Davide Rattacaso , Daniel Jaschke , Marco Ballarin , Ilaria Siloi , Simone Montangero

The variational quantum eigensolver (VQE) has emerged as one of the most promising near-term quantum algorithms that can be used to simulate many-body systems such as molecular electronic structures. Serving as an attractive ansatz in the…

Quantum algorithms for quantum chemistry map the dynamics of electrons in a molecule to the dynamics of a coupled spin system. To reach chemical accuracy for interesting molecules, a large number of quantum gates must be applied which…

Quantum Physics · Physics 2015-02-02 Colin J. Trout , Kenneth R. Brown

We present QDK/Chemistry, a software toolkit for quantum chemistry workflows targeting quantum computers. The toolkit addresses a key challenge in the field: while quantum algorithms for chemistry have matured considerably, the…

For many decades, quantum chemical method development has been dominated by algorithms which involve increasingly complex series of tensor contractions over one-electron orbital spaces. Procedures for their derivation and implementation…

Computational Physics · Physics 2014-10-10 George H. Booth , Simon D. Smart , Ali Alavi

We assess the performance of the Quantum Flow (QFlow) algorithm employing cost-effective solvers based on the unitary coupled-cluster ansatz with single and double excitations (QFlow-SD). The resulting energies are benchmarked against those…

Chemical Physics · Physics 2026-05-05 Bhumika Jayee , Nathan M. Myers , Duo Song , Eric J. Bylaska , Karol Kowalski , Nicholas P. Bauman

Scaling quantum computers, i.e., quantum processing units (QPUs) to enable the execution of large quantum circuits is a major challenge, especially for applications that should provide a quantum advantage over classical algorithms. One…

Quantum Physics · Physics 2026-01-27 Leo Sünkel , Jonas Stein , Jonas Nüßlein , Tobias Rohe , Claudia Linnhoff-Popien

Quantum computing is a promising paradigm based on quantum theory for performing fast computations. Quantum algorithms are expected to surpass their classical counterparts in terms of computational complexity for certain tasks, including…

Quantum circuit simulation is crucial for the development of quantum algorithms, particularly given the high cost and noise limitations of physical quantum hardware. While full-state quantum circuit simulation is commonly employed for…

Quantum Physics · Physics 2026-04-15 Chuan-Chi Wang , Yan-Jie Wang , Chia-Heng Tu , Shih-Hao Hung

Quantum algorithms for selecting a subspace of Hamiltonians to diagonalize have emerged as a promising alternative to variational algorithms in the NISQ era. So far, such algorithms, which include the quantum selected configuration…

Distributed quantum computing (DQC) is being actively investigated as a means of scaling the number of qubits across multiple connected quantum devices. This includes quantum circuit compilation and execution management on multiple quantum…

Quantum Physics · Physics 2026-03-23 Gongyu Ni , Davide Ferrari , Lester Ho , Michele Amoretti

Distributed quantum computing (DQC) is a new paradigm aimed at scaling up quantum computing via the interconnection of smaller quantum processing units (QPUs). Shared entanglement allows teleportation of both states and gates between QPUs.…

Quantum Physics · Physics 2025-01-22 Felix Burt , Kuan-Cheng Chen , Kin Leung

In classical computational chemistry, the coupled-cluster ansatz is one of the most commonly used $ab~initio$ methods, which is critically limited by its non-unitary nature. The unitary modification as an ideal solution to the problem is,…

Quantum Physics · Physics 2017-03-01 Yangchao Shen , Xiang Zhang , Shuaining Zhang , Jing-Ning Zhang , Man-Hong Yung , Kihwan Kim

To overcome the physical limitations of scaling monolithic quantum computers, distributed quantum computing (DQC) interconnects multiple smaller-scale quantum processing units (QPUs) to form a quantum network. However, this approach…

For most practical applications, quantum algorithms require large resources in terms of qubit number, much larger than those available with current NISQ processors. With the network and communication functionalities provided by the Quantum…

Quantum Physics · Physics 2023-10-03 Davide Ferrari , Stefano Carretta , Michele Amoretti

To move towards the utility era of quantum computing, many corporations have posed distributed quantum computing (DQC) as a framework for scaling the current generation of devices for practical applications. One of these applications is…

Quantum Physics · Physics 2025-07-03 Grier M. Jones , Hans-Arno Jacobsen

Two novel measurement-based, quantum clustering algorithms are proposed based on quantum parallelism and entanglement. The first algorithm follows a divisive approach. The second algorithm is based on unsharp measurements, where we…

Quantum Physics · Physics 2024-08-09 Srushti Patil , Shreya Banerjee , Prasanta K. Panigrahi

Distributed quantum computing (DQC) offers a pathway for scaling up quantum computing architectures beyond the confines of a single chip. Entanglement is a crucial resource for implementing non-local operations in DQC, and it is required to…

Quantum Physics · Physics 2025-03-25 Ji Liu , Allen Zang , Martin Suchara , Tian Zhong , Paul D Hovland