Zobrazeno 1 - 10
of 257
pro vyhledávání: '"Mayhall, Nicholas"'
Autor:
Ramôa, Mafalda, Anastasiou, Panagiotis G., Santos, Luis Paulo, Mayhall, Nicholas J., Barnes, Edwin, Economou, Sophia E.
Adaptive variational quantum algorithms arguably offer the best prospects for quantum advantage in the NISQ era. Since the inception of the first such algorithm, ADAPT-VQE, many improvements have appeared in the literature. We combine the key improve
Externí odkaz:
http://arxiv.org/abs/2407.08696
Autor:
Long, Christopher K., Mayhall, Nicholas J., Economou, Sophia E., Barnes, Edwin, Barnes, Crispin H. W., Martins, Frederico, Arvidsson-Shukur, David R. M., Mertig, Normann
Standing as one of the most significant barriers to reaching quantum advantage, state-preparation fidelities on noisy intermediate-scale quantum processors suffer from quantum-gate errors, which accumulate over time. A potential remedy is pulse-based
Externí odkaz:
http://arxiv.org/abs/2406.10913
Autor:
Bachhar, Arnab, Mayhall, Nicholas J.
The cluster-based Mean Field method (cMF) and it's second order perturbative correction[1], was introduced by Jim\'enez-Hoyos and Scuseria to reduce the cost of modeling strongly correlated systems by dividing an active space up into small clusters,
Externí odkaz:
http://arxiv.org/abs/2406.08721
In conventional variational quantum eigensolvers (VQEs), trial states are prepared by applying series of parameterized gates to a reference state, with the gate parameters being varied to minimize the energy of the target system. Recognizing that the
Externí odkaz:
http://arxiv.org/abs/2405.15166
Publikováno v:
J. Chem. Theory Comput. 2024, 20, 5133-5144
The Adaptive Derivative-Assembled Pseudo-Trotter Variational Quantum Eigensolver (ADAPT-VQE) has emerged as a pivotal promising approach for electronic structure challenges in quantum chemistry with noisy quantum devices. Nevertheless, to surmount ex
Externí odkaz:
http://arxiv.org/abs/2403.09624
The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty in drawing physical conclusions from a wavefunction is often related to
Externí odkaz:
http://arxiv.org/abs/2403.06913
Adaptive protocols enable the construction of more efficient state preparation circuits in variational quantum algorithms (VQAs) by utilizing data obtained from the quantum processor during the execution of the algorithm. This idea originated with AD
Externí odkaz:
http://arxiv.org/abs/2401.05172
ADAPT-VQE is one of the leading VQE algorithms which circumvents the choice-of-ansatz conundrum by iteratively growing compact and arbitrarily accurate problem-tailored ans\"atze. However, for hardware-efficient operator pools, the gradient-measureme
Externí odkaz:
http://arxiv.org/abs/2306.03227
In a recent paper [JCTC, 2020, 16, 6098], we introduced a new approach for accurately approximating full CI ground states in large electronic active-spaces, called Tensor Product Selected CI (TPSCI). In TPSCI, a large orbital active space is first pa
Externí odkaz:
http://arxiv.org/abs/2303.02232
Autor:
Kumar, Ashutosh, Asthana, Ayush, Abraham, Vibin, Crawford, T. Daniel, Mayhall, Nicholas J., Zhang, Yu, Cincio, Lukasz, Tretiak, Sergei, Dub, Pavel A.
Accurate modeling of the response of molecular systems to an external electromagnetic field is challenging on classical computers, especially in the regime of strong electronic correlation. In this paper, we develop a quantum linear response (qLR) th
Externí odkaz:
http://arxiv.org/abs/2301.06260