[HTML][HTML] The variational quantum eigensolver: a review of methods and best practices

J Tilly, H Chen, S Cao, D Picozzi, K Setia, Y Li, E Grant… - Physics Reports, 2022 - Elsevier
The variational quantum eigensolver (or VQE), first developed by Peruzzo et al.(2014), has
received significant attention from the research community in recent years. It uses the …

Hybrid quantum-classical algorithms and quantum error mitigation

S Endo, Z Cai, SC Benjamin, X Yuan - Journal of the Physical …, 2021 - journals.jps.jp
Quantum computers can exploit a Hilbert space whose dimension increases exponentially
with the number of qubits. In experiment, quantum supremacy has recently been achieved …

A quantum computing view on unitary coupled cluster theory

A Anand, P Schleich, S Alperin-Lea… - Chemical Society …, 2022 - pubs.rsc.org
We present a review of the Unitary Coupled Cluster (UCC) ansatz and related ansätze
which are used to variationally solve the electronic structure problem on quantum …

Realization of High-Fidelity CZ and -Free iSWAP Gates with a Tunable Coupler

Y Sung, L Ding, J Braumüller, A Vepsäläinen… - Physical Review X, 2021 - APS
High-fidelity two-qubit gates at scale are a key requirement to realize the full promise of
quantum computation and simulation. The advent and use of coupler elements to tunably …

Quantum chemistry in the age of quantum computing

Y Cao, J Romero, JP Olson, M Degroote… - Chemical …, 2019 - ACS Publications
Practical challenges in simulating quantum systems on classical computers have been
widely recognized in the quantum physics and quantum chemistry communities over the …

An adaptive variational algorithm for exact molecular simulations on a quantum computer

HR Grimsley, SE Economou, E Barnes… - Nature …, 2019 - nature.com
Quantum simulation of chemical systems is one of the most promising near-term
applications of quantum computers. The variational quantum eigensolver, a leading …

Quantum computational chemistry

S McArdle, S Endo, A Aspuru-Guzik, SC Benjamin… - Reviews of Modern …, 2020 - APS
One of the most promising suggested applications of quantum computing is solving
classically intractable chemistry problems. This may help to answer unresolved questions …

Electronic-structure methods for materials design

N Marzari, A Ferretti, C Wolverton - Nature materials, 2021 - nature.com
The accuracy and efficiency of electronic-structure methods to understand, predict and
design the properties of materials has driven a new paradigm in research. Simulations can …

qubit-adapt-vqe: An adaptive algorithm for constructing hardware-efficient ansätze on a quantum processor

HL Tang, VO Shkolnikov, GS Barron, HR Grimsley… - PRX Quantum, 2021 - APS
Quantum simulation, one of the most promising applications of a quantum computer, is
currently being explored intensely using the variational quantum eigensolver. The feasibility …

On-surface synthesis of a doubly anti-aromatic carbon allotrope

Y Gao, F Albrecht, I Rončević, I Ettedgui, P Kumar… - Nature, 2023 - nature.com
Synthetic carbon allotropes such as graphene, carbon nanotubes and fullerenes have
revolutionized materials science and led to new technologies. Many hypothetical carbon …