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In the lead up to fault tolerance, the utility of quantum computing will be determined by how adequately the effects of noise can be circumvented in quantum algorithms. Hybrid quantum-classical algorithms such as the variational quantum…

We report a first demonstration for the application of quantum computing to heavy quarkonium spectroscopy study. Based on a Cornell-potential model for the heavy quark and antiquark system, we show how this Hamiltonian problem can be…

Nuclear Theory · Physics 2023-04-26 Daniel Gallimore , Jinfeng Liao

Fixed-frequency superconducting quantum processors are one of the most mature quantum computing architectures with high-coherence qubits and simple controls. However, high-fidelity multi-qubit gates pose tight requirements on individual…

Quantum Physics · Physics 2022-08-22 Alexis Morvan , Larry Chen , Jeffrey M. Larson , David I. Santiago , Irfan Siddiqi

Quantum computers are ideal for solving chemistry problems due to their polynomial scaling with system size in contrast to classical computers which scale exponentially. Until now molecular energy calculations using quantum computing…

Quantum Physics · Physics 2019-08-15 Alexander Teplukhin , Brian K. Kendrick , Dmitri Babikov

Accurately capturing electron correlation in large-scale molecular systems remains one of the foremost challenges in quantum chemistry and a primary driver for the development of quantum algorithms. Classical configuration-interaction…

Chemical Physics · Physics 2026-01-16 Fatemeh Ghasemi , Yousung Kang , Yukio Kawashima , Kyungsun Moon

In this paper, we explore the relationship between the width of a qubit lattice constrained in one dimension and physical thresholds for scalable, fault-tolerant quantum computation. To circumvent the traditionally low thresholds of small…

Quantum Physics · Physics 2022-12-15 Alexis T. E. Shaw , Michael J. Bremner , Alexandru Paler , Daniel Herr , Simon J. Devitt

The Variational Quantum Eigensolver (VQE) is a promising quantum algorithm for applications in chemistry within the Noisy Intermediate-Scale Quantum (NISQ) era. The ability for a quantum computer to simulate electronic structures with high…

Over the last decade, researchers have been working to improve a crucial aspect of quantum computing to predict Hamiltonian energy of solids. Quantum algorithms such as Variational Quantum Eigensolver (VQE) and Variational Quantum Deflation…

Materials Science · Physics 2025-09-03 Naman Khandelwal , Nidhi Verma , Pooja Jamdagni , Ashok Kumar

This dissertation explores quantum computation using qudits encoded into large spins, emphasizing the concept of quantum co-design to harness the unique capabilities of physical platforms for enhanced quantum information processing. First,…

Quantum Physics · Physics 2024-05-14 Sivaprasad Omanakuttan

The electronic structure problem is one of the main problems in modern theoretical chemistry. While there are many already-established methods both for the problem itself and its applications like semi-classical or quantum dynamics, it…

Quantum Physics · Physics 2024-10-25 Martin Beseda , Silvie Illésová , Saad Yalouz , Bruno Senjean

Great efforts have been dedicated in recent years to explore practical applications for noisy intermediate-scale quantum (NISQ) computers, which is a fundamental and challenging problem in quantum computing. As one of the most promising…

Quantum computers are special purpose machines that are expected to be particularly useful in simulating strongly correlated chemical systems. The quantum computer excels at treating a moderate number of orbitals within an active space in a…

A unitary coupled-cluster (UCC) form for the wavefunction in the variational quantum eigensolver has been suggested as a systematic way to go beyond the mean-field approximation and include electron correlation in solving quantum chemistry…

Quantum Physics · Physics 2018-09-12 Ilya G. Ryabinkin , Tzu-Ching Yen , Scott N. Genin , Artur F. Izmaylov

Quantum computers are promising tools for simulating many-body quantum systems due to their potential scaling advantage over classical computers. While significant effort has been expended on many-fermion systems, here we simulate a model…

Quantum Physics · Physics 2023-07-17 Yuchen Wang , LeeAnn M. Sager-Smith , David A. Mazziotti

The variational quantum eigensolver (VQE) algorithm combines the ability of quantum computers to efficiently compute expectation values with a classical optimization routine in order to approximate ground state energies of quantum systems.…

Quantum chemistry applications on quantum computers currently rely heavily on the variational quantum eigensolver (VQE) algorithm. This hybrid quantum-classical algorithm aims at finding ground state solutions of molecular systems based on…

The proposal for quantum computing with rare-earth-ion qubits in inorganic crystals makes use of the inhomogeneous broadening of optical transitions in the ions to associate individual qubits with ions responding to radiation in selected…

Quantum Physics · Physics 2009-11-10 Ingela Roos , Klaus Molmer

Quantum compiling aims to construct a quantum circuit V by quantum gates drawn from a native gate alphabet, which is functionally equivalent to the target unitary U. It is a crucial stage for the running of quantum algorithms on noisy…

Quantum Physics · Physics 2021-03-23 Zhimin He , Lvzhou Li , Shenggen Zheng , Yongyao Li , Haozhen Situ

Quantum-centric supercomputing (in which a quantum processor samples the dominant electronic configurations and classical high-performance computing resources perform the diagonalisation) is emerging as a practical route to correlated…

Quantum Physics · Physics 2026-05-29 Karim Elgammal , Marc Maußner

Quasiparticle interference (QPI) of the electronic states has been widely applied in scanning tunneling microscopy (STM) to analyze the electronic band structure of materials. Single-defect induced QPI reveals defect-dependent interaction…

Materials Science · Physics 2020-07-08 Wenhao Zhang , Kunliang Bu , Fangzhou Ai , Zongxiu Wu , Ying Fei , Yuan Zheng , Jianhua Du , Minghu Fang , Yi Yin
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