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Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious…

Quantum Physics · Physics 2019-07-16 Harper R. Grimsley , Sophia E. Economou , Edwin Barnes , Nicholas J. Mayhall

The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…

Quantum Physics · Physics 2019-09-12 Michael Kühn , Sebastian Zanker , Peter Deglmann , Michael Marthaler , Horst Weiß

Quantum noise in real-world devices poses a significant challenge in achieving practical quantum advantage, since accurately compiled and executed circuits are typically deep and highly susceptible to decoherence. To facilitate the…

Quantum Physics · Physics 2025-06-13 Yuchen Guo , Shuo Yang

Quantum computing (QC) provides a promising avenue toward enabling quantum chemistry calculations, which are classically impossible due to a computational complexity that increases exponentially with system size. As fully fault-tolerant…

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…

Reducing circuit depth is essential for implementing quantum simulations of electronic structure on near-term quantum devices. In this work, we propose a variational quantum eigensolver (VQE) based perturbation theory algorithm to…

Quantum Physics · Physics 2024-01-17 Jie Liu , Zhenyu Li , Jinlong Yang

We present a quantum chemistry benchmark for noisy intermediate-scale quantum computers that leverages the variational quantum eigensolver, active space reduction, a reduced unitary coupled cluster ansatz, and reduced density purification…

Fault-tolerant quantum computation (FTQC) is essential to implement quantum algorithms in a noise-resilient way, and thus to enjoy advantages of quantum computers even with presence of noise. In FTQC, a quantum circuit is decomposed into…

Quantum Physics · Physics 2025-07-23 Kohdai Kuroiwa , Yuya O. Nakagawa

Quantum sensing is an important application of emerging quantum technologies. We explore whether a hybrid system of quantum sensors and quantum circuits can surpass the classical limit of sensing. In particular, we use optimization…

Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…

Quantum Physics · Physics 2025-04-29 Dipanjali Halder , Dibyendu Mondal , Rahul Maitra

Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…

Quantum Physics · Physics 2025-04-01 Titus D. Morris , Ananth Kaushik , Martin Roetteler , Phillip C. Lotshaw

For a large number of tasks, quantum computing demonstrates the potential for exponential acceleration over classical computing. In the NISQ era, variable-component subcircuits enable applications of quantum computing. To reduce the…

Quantum Physics · Physics 2022-12-12 Junhan Qin

Parameterized Quantum Circuits (PQC) have obtained increasing popularity thanks to their great potential for near-term Noisy Intermediate-Scale Quantum (NISQ) computers. Achieving quantum advantages usually requires a large number of qubits…

The adaptive derivative-assembled problem-tailored variational quantum eigensolver (ADAPT-VQE) provides a promising approach for simulating highly correlated quantum systems on quantum devices, as it strikes a balance between hardware…

Quantum Computing has been evolving in the last years. Although nowadays quantum algorithms performance has shown superior to their classical counterparts, quantum decoherence and additional auxiliary qubits needed for error tolerance…

Quantum Physics · Physics 2021-05-06 O. M. Pires , E. I. Duzzioni , J. Marchi , R. Santiago

The variational quantum eigensolver (VQE) algorithm recently became a popular method to compute quantum chemical properties of molecules on noisy intermediate scale quantum (NISQ) devices. In order to avoid noise accumulation from the NISQ…

Quantum Physics · Physics 2023-08-29 Seyed Ehsan Ghasempouri , Gerhard W. Dueck , Stijn De Baerdemacker

We make the case that variational algorithm ansatzes for near-term quantum computing are well-suited for the quantum circuit cutting strategy. Previous demonstrations of circuit cutting focused on the exponential execution and…

Quantum Physics · Physics 2024-12-25 Zirui Li , Minghao Guo , Mayank Barad , Wei Tang , Eddy Z. Zhang , Yipeng Huang

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…

A novel parallel hybrid quantum-classical algorithm for the solution of the quantum-chemical ground-state energy problem on gate-based quantum computers is presented. This approach is based on the reduced density-matrix functional theory…

In this thesis we examine a variety of techniques for reducing the resources required for fault-tolerant quantum computation. First, we show how to simplify universal encoded computation by using only transversal gates and standard error…

Quantum Physics · Physics 2014-10-21 Adam Paetznick