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We develop an extension of the variational quantum eigensolver (VQE) algorithm - multistate, contracted VQE (MC-VQE) - that allows for the efficient computation of the transition energies between the ground state and several low-lying…

Quantum Physics · Physics 2019-06-19 Robert M. Parrish , Edward G. Hohenstein , Peter L. McMahon , Todd J. Martinez

Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to utilize today's noisy quantum processors. One of their flagship…

Quasiparticle interference has been used frequently for the purpose of unraveling the electronic states in the vicinity of the Fermi level as well as the nature of superconducting gap in the unconventional superconductors. Using the…

Superconductivity · Physics 2025-03-04 Garima Goyal , Dheeraj Kumar Singh

Quantum subspace methods (QSMs) are a class of quantum computing algorithms where the time-independent Schrodinger equation for a quantum system is projected onto a subspace of the underlying Hilbert space. This projection transforms the…

Quantum computers have the potential to deliver speed-ups for solving certain important problems that are intractable for classical counterparts, making them a promising avenue for advancing modern computation. However, many quantum…

Quantum Physics · Physics 2025-12-23 Kang-Min Hu , Min Namkung , Hyang-Tag Lim

Recent studies to solve nuclear structure problems using quantum computers rely on a quantum algorithm known as Variational Quantum Eigensolver (VQE). In this study, we calculate the correlation energy in Helium-6 using VQE, with a…

Quantum Physics · Physics 2024-06-25 Ching-Hwa Wee , Meng-Hock Koh , Yung Szen Yap

Variational quantum eigensolvers (VQEs) are successful algorithms for studying physical systems on quantum computers. Recently, they were extended to the measurement-based model of quantum computing, bringing resource graph states and their…

Quantum Physics · Physics 2024-06-27 Albie Chan , Zheng Shi , Luca Dellantonio , Wolfgang Dür , Christine A. Muschik

While quantum algorithms for simulation exhibit better asymptotic scaling than their classical counterparts, they currently cannot be implemented on real-world devices. Instead, chemists and computer scientists rely on costly classical…

Quantum Physics · Physics 2022-06-03 Christopher Kang , Nicholas P. Bauman , Sriram Krishnamoorthy , Karol Kowalski

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…

We investigate a quantum integrated communication and computation (QICC) scheme for a single-mode bosonic multiple-access channel (MAC) with coherent-state signalling. By exploiting the natural superposition property of the quantum MAC, a…

Information Theory · Computer Science 2026-04-10 Ioannis Krikidis

Electronic state calculations using quantum computers are mostly based on second quantization, which is suitable for qubit representation. Another way to describe electronic states on a quantum computer is first quantization, which is…

Quantum Physics · Physics 2023-06-16 Takahiro Horiba , Soichi Shirai , Hirotoshi Hirai

Designing a qubit architecture is one of the most critical challenges in achieving scalable and fault-tolerant quantum computing as the performance of a quantum computer is heavily dependent on the coherence times, connectivity and low…

The Variational Quantum Eigensolver (VQE) is a method of choice to solve the electronic structure problem for molecules on near-term gate-based quantum computers. However, the circuit depth is expected to grow significantly with problem…

Multivariate (MTV) porous materials exhibit unique structural complexities based on diverse spatial arrangements of multiple building block combinations. These materials possess potential synergistic functionalities that exceed the sum of…

Quantum Physics · Physics 2025-05-12 Shinyoung Kang , Younghun Kim , Jihan Kim

A quantum computer that stores information on two-state systems called quantum bits or qubits must be able to address and manipulate individual qubits, to effect coherent interactions between pairs of qubits, and to read out the value of…

Quantum Physics · Physics 2007-05-23 M. S. Shahriar , P. R. Hemmer , S. Lloyd , J. A. Bowers , A. E. Craig

Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum computations of vibrational properties remain a relatively…

Quantum Selected Configuration Interaction (QSCI) methods (also known as Sample-based Quantum Diagonalization, SQD) have emerged as promising near-term approaches to solving the electronic Schr{\"o}dinger equation with quantum computers. In…

Estimation of physical observables for unknown quantum states is an important problem that underlies a wide range of fields, including quantum information processing, quantum physics, and quantum chemistry. In the context of quantum…

Quantum Physics · Physics 2024-05-21 Yuma Nakamura , Yoshichika Yano , Nobuyuki Yoshioka

Hybrid quantum-classical computing algorithms offer significant potential for accelerating the calculation of the electronic structure of strongly correlated molecules. In this work, we present the first quantum simulation of conical…

Circuit cutting allows quantum circuits larger than the available hardware to be executed. Cutting techniques split circuits into smaller subcircuits, run them on the hardware, and recombine results through classical post-processing.…

Quantum Physics · Physics 2024-11-28 Songqinghao Yang , Prakash Murali