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Various strategies to implement efficiently QMC simulations for large chemical systems are presented. These include: i.) the introduction of an efficient algorithm to calculate the computationally expensive Slater matrices. This novel…

Performance · Computer Science 2019-05-28 Anthony Scemama , Michel Caffarel , Emmanuel Oseret , William Jalby

A universal quantum computer can simulate diverse quantum systems, with electronic structure for chemistry offering challenging problems for practical use cases around the hundred-qubit mark. While current quantum processors have reached…

Recently, the development of quantum chips has made great progress-- the number of qubits is increasing and the fidelity is getting higher. However, qubits of these chips are not always fully connected, which sets additional barriers for…

Emerging Technologies · Computer Science 2018-07-06 Xin Zhang , Hong Xiang , Tao Xiang , Li Fu , Jun Sang

The unitary coupled cluster (UCC) algorithm is one of the most promising implementations of the variational quantum eigensolver for quantum computers. However, for large systems, the number of UCC factors leads to deep quantum circuits,…

Quantum Physics · Physics 2026-02-17 Jeremy Canfield , Dominika Zgid , J K Freericks

To address the issue of excessive quantum resource requirements in Kuperberg's algorithm for the dihedral hidden subgroup problem, this paper proposes a distributed algorithm based on the function decomposition. By splitting the original…

Quantum Physics · Physics 2025-03-11 Pengyu Yang , Xin Zhang , Song Lin

Modular and networked quantum architectures can scale beyond the qubit count of a single device, but executing a circuit across modules requires implementing non-local two-qubit gates using shared entanglement (ebits) and classical…

Quantum Physics · Physics 2026-02-18 Hyunho Cha , Jungwoo Lee

The Trotter-Suzuki approximation leads to an efficient algorithm for solving the time-dependent Schr\"odinger equation. Using existing highly optimized CPU and GPU kernels, we developed a distributed version of the algorithm that runs…

Computational Physics · Physics 2013-03-06 Peter Wittek , Fernando M. Cucchietti

Commercially impactful quantum algorithms such as quantum chemistry and Shor's algorithm require a number of qubits and gates far beyond the capacity of any existing quantum processor. Distributed architectures, which scale horizontally by…

Simulating quantum circuits (QC) on high-performance computing (HPC) systems has become an essential method to benchmark algorithms and probe the potential of large-scale quantum computation despite the limitations of current quantum…

Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry, and materials science. While the majority of…

Quantum Physics · Physics 2022-10-03 Paul K. Faehrmann , Mark Steudtner , Richard Kueng , Maria Kieferova , Jens Eisert

The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…

Simulation of continuous time evolution requires time discretization on both classical and quantum computers. A finer time step improves simulation precision, but it inevitably leads to increased computational efforts. This is particularly…

Quantum Physics · Physics 2023-08-16 Hongzheng Zhao , Marin Bukov , Markus Heyl , Roderich Moessner

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…

NISQ devices have several physical limitations and unavoidable noisy quantum operations, and only small circuits can be executed on a quantum machine to get reliable results. This leads to the quantum hardware under-utilization issue. Here,…

Hardware Architecture · Computer Science 2023-02-22 Siyuan Niu , Aida Todri-Sanial

Scaling the size of monolithic quantum computer systems is a difficult task. As the number of qubits within a device increases, a number of factors contribute to decreases in yield and performance. To meet this challenge, distributed…

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…

In quantum chemistry, the variational quantum eigensolver (VQE) is a promising algorithm for molecular simulations on near-term quantum computers. However, VQEs using hardware-efficient circuits face scaling challenges due to the barren…

Quantum Physics · Physics 2024-09-27 Rui Mao , Guojing Tian , Xiaoming Sun

The growing demand for large-scale quantum computers is pushing research on Distributed Quantum Computing (DQC). Recent experimental efforts have demonstrated some of the building blocks for such a design. DQC systems are clusters of…

Quantum Physics · Physics 2024-09-04 Davide Ferrari , Michele Amoretti

Distributed Quantum Computing (DQC) provides a means for scaling available quantum computation by interconnecting multiple quantum processor units (QPUs). A key challenge in this domain is efficiently allocating logical qubits from quantum…

Distributed quantum computing (DQC) is widely regarded as a promising approach to overcome quantum hardware limitations. A major challenge in DQC lies in reducing the communication cost introduced by remote CNOT gates, which are…

Quantum Physics · Physics 2025-12-02 Hui Zhong , Jiachen Shen , Lei Fan , Xinyue Zhang , Hao Wang , Miao Pan , Zhu Han
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