相关论文: Practical techniques for high-precision measuremen…
Estimating molecular ground-state energies is a central application of quantum computing, requiring both the preparation of accurate quantum states and efficient energy readout. Understanding the effect of hardware noise on these…
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…
This study explores hardware implementation of Robust Amplitude Estimation (RAE) on IBM quantum devices, demonstrating its application in quantum chemistry for one- and two-qubit Hamiltonian systems. Known for potentially offering quadratic…
Quantum computers are expected to provide a ultimate solver for quantum many-body systems, although it is a tremendous challenge to achieve that goal on current noisy quantum devices. This work illustrated quantum simulations of ab initio…
Assessing whether a noisy quantum device can potentially exhibit quantum advantage is essential for selecting practical quantum utility tasks that are not efficiently verifiable by classical means. For optimization, a prominent candidate…
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 computers hold promise to circumvent the limitations of conventional computing for difficult molecular problems. However, the accumulation of quantum logic errors on real devices represents a major challenge, particularly in the…
Quantum computing is a game-changing technology for global academia, research centers and industries including computational science, mathematics, finance, pharmaceutical, materials science, chemistry and cryptography. Although it has seen…
Achieving practical quantum advantage on near-term noisy hardware is a central goal of quantum computation. However, without efficient pre-execution diagnostics, circuit design and scheme selection often rely on costly hardware-in-the-loop…
Derivatives of BODIPY are popular fluorophores due to their synthetic feasibility, structural rigidity, high quantum yield, and tunable spectroscopic properties. While the characteristic absorption maximum of BODIPY is at 2.5 eV,…
Quantum computational chemistry holds great promise for simulating molecular systems more efficiently than classical methods by leveraging quantum bits to represent molecular wavefunctions. However, current implementations face significant…
Emergent quantum computing technologies are widely expected to provide novel approaches in the simulation of quantum chemistry. Despite rapid improvements in the scale and fidelity of quantum computers, high resource requirements make the…
We present adaptive measurement techniques tailored for variational quantum algorithms on near-term small and noisy devices. In particular, we generalise earlier "learning to measure" strategies in two ways. First, by considering a class of…
Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…
Characterizing and mitigating errors in current noisy intermediate-scale devices is important to improve performance of next generations of quantum hardware. In order to investigate the importance of the different noise mechanisms affecting…
We propose and analyze a method for improving quantum chemical energy calculations on a quantum computer impaired by decoherence and shot noise. The error mitigation approach relies on the fact that the one- and two-particle reduced density…
Variational algorithms are a promising paradigm for utilizing near-term quantum devices for modeling electronic states of molecular systems. However, previous bounds on the measurement time required have suggested that the application of…
Estimating nonlinear properties such as R\'enyi entropies and observable-weighted moments serves as a central strategy for spectrum spectroscopy, which is fundamental to property prediction and analysis in quantum information science,…
With rapid progress being made in the development of platforms for quantum computation, there has been considerable interest in whether present-day and near-term devices can be used to solve problems of relevance. A commonly cited…
The accurate computation of properties of large molecular systems is classically infeasible and is one of the applications in which it is hoped that quantum computers will demonstrate an advantage over classical devices. However, due to the…