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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

Quantum circuit synthesis and compilation are critical components in the quantum computing stack, both for contemporary quantum systems, where efficient use of limited resources is essential, as well as for large-scale fault-tolerant…

Quantum Physics · Physics 2025-10-21 Jonathan Nemirovsky , Maya Chuchem , Lee Peleg , Yakov Solomons , Amit Ben Kish , Yotam Shapira

This paper is concerned with the phase estimation algorithm in quantum computing algorithms, especially the scenarios where (1) the input vector is not an eigenvector; (2) the unitary operator is not exactly implemented; (3) random…

Quantum Physics · Physics 2022-08-10 Xiantao Li

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…

The central challenge of quantum computing is implementing high-fidelity quantum gates at scale. However, many existing approaches to qubit control suffer from a scale-performance trade-off, impeding progress towards the creation of useful…

Large-scale classical simulation of quantum computers is crucial for benchmarking quantum algorithms, establishing boundaries of quantum advantage and exploring heuristic quantum algorithms. We present a full-state vector simulation…

We present a large-scale experimental study of quantum-computing-based molecular simulation carried out on IQM's Sirius 24-qubit superconducting processor, utilizing up to 16 operational qubits. The work employs Sample-based Quantum…

In this paper, we implement a quantum algorithm -on IBM quantum devices, IBM QASM simulator and PPRC computer cluster -to find the energy values of the ground state and the first excited state of a particle in a finite square-well…

Quantum Physics · Physics 2021-08-18 Sina Shokri , Shahnoosh Rafibakhsh , Faezeh Pooshgan , Rita Faeghi

We revisit quantum phase estimation algorithms for the purpose of obtaining the energy levels of many-body Hamiltonians and pay particular attention to the statistical analysis of their outputs. We introduce the mean phase direction of the…

Quantum Physics · Physics 2020-08-20 P. M. Q. Cruz , G. Catarina , R. Gautier , J. Fernández-Rossier

As quantum hardware continues to improve, more and more application scientists have entered the field of quantum computing. However, even with the rapid improvements in the last few years, quantum devices, especially for quantum chemistry…

Emerging Technologies · Computer Science 2024-04-26 Matthew Otten , Byeol Kang , Dmitry Fedorov , Anouar Benali , Salman Habib , Yuri Alexeev , Stephen K. Gray

A key requirement for scalable quantum computing is that elementary quantum gates can be implemented with sufficiently low error. One method for determining the error behavior of a gate implementation is to perform process tomography.…

A prerequisite to the successful development of quantum computers and simulators is precise understanding of physical processes occurring therein, which can be achieved by measuring the quantum states they produce. However, the resources…

Molecular simulations are widely regarded as leading candidates to demonstrate quantum advantage--defined as the point at which quantum methods surpass classical approaches in either accuracy or scale. Yet the qubit counts and error rates…

Quantum phase estimation plays a central role in quantum simulation as it enables the study of spectral properties of many-body quantum systems. Most variants of the phase estimation algorithm require the application of the global unitary…

Quantum chemistry is one of the most promising applications of quantum computers in the near future. For noisy intermediate-scale quantum devices, the quantum-classical hybrid framework based on the variational quantum eigensolver (VQE) has…

Quantum computers can solve certain problems more efficiently than any possible conventional computer. Small quantum algorithms have been demonstrated on multiple quantum computing platforms, many specifically tailored in hardware to…

Quantum Physics · Physics 2016-08-05 S. Debnath , N. M. Linke , C. Figgatt , K. A. Landsman , K. Wright , C. Monroe

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

We consider performing phase estimation under the following conditions: we are given only one copy of the input state, the input state does not have to be an eigenstate of the unitary, and the state must not be measured. Most quantum…

Quantum Physics · Physics 2022-12-13 Patrick Rall

Quantum Phase Estimation (QPE) is a cornerstone algorithm for fault-tolerant quantum computation, especially for electronic structure calculations of chemical systems. To accommodate the diverse characteristics of quantum chemical systems,…

Quantum Physics · Physics 2025-10-03 Calvin Ku , Yu-Cheng Chen , Alice Hu , Min-Hsiu Hsieh

We implement all single-qubit operations with fidelities significantly above the minimum threshold required for fault-tolerant quantum computing, using a trapped-ion qubit stored in hyperfine "atomic clock" states of $^{43}$Ca$^+$. We…

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