[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 …

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 …

Reducing Entanglement with Physically Inspired Fermion-To-Qubit Mappings

T Parella-Dilmé, K Kottmann, L Zambrano, L Mortimer… - PRX Quantum, 2024 - APS
In ab initio electronic structure simulations, fermion-to-qubit mappings represent the initial
encoding step from the problem of fermions into a problem of qubits. This work introduces a …

Quantum and classical computational synergy for emerging contaminants management: Advanced insights into cytochrome P450 metabolic mechanisms

X Huang, L Niu, J Chen, L Li, K Hayat… - Critical Reviews in …, 2024 - Taylor & Francis
Computational toxicology provides the basis for the accurate assessment and prediction of
toxic effects at the molecular level. However, classical computing often lacks speed and …

Custom fermionic codes for quantum simulation

RW Chien, JD Whitfield - arXiv preprint arXiv:2009.11860, 2020 - arxiv.org
Simulating a fermionic system on a quantum computer requires encoding the anti-
commuting fermionic variables into the operators acting on the qubit Hilbert space. The most …

A unified framework of transformations based on the Jordan–Wigner transformation

QS Li, HY Liu, Q Wang, YC Wu, GP Guo - The Journal of Chemical …, 2022 - pubs.aip.org
Quantum simulation of chemical Hamiltonians enables the efficient calculation of chemical
properties. Mapping is one of the essential steps in simulating fermionic systems on …

Simulating quantum error mitigation in fermionic encodings

RW Chien, K Setia, X Bonet-Monroig… - arXiv preprint arXiv …, 2023 - arxiv.org
The most scalable proposed methods of simulating lattice fermions on noisy quantum
computers employ encodings that eliminate nonlocal operators using a constant factor more …

Ternary Tree Fermion-to-Qubit Mapping with Hamiltonian Aware Optimization

Y Liu, K Yao, J Hong, J Froustey, Y Shi… - arXiv preprint arXiv …, 2024 - arxiv.org
This paper introduces the Hamiltonian-Aware Ternary Tree (HATT) framework to compile
optimized Fermion-to-qubit mapping for specific Fermionic Hamiltonians. In the simulation of …

Fermihedral: On the Optimal Compilation for Fermion-to-Qubit Encoding

Y Liu, S Che, J Zhou, Y Shi, G Li - Proceedings of the 29th ACM …, 2024 - dl.acm.org
This paper introduces Fermihedral, a compiler framework focusing on discovering the
optimal Fermion-to-qubit encoding for targeted Fermionic Hamiltonians. Fermion-to-qubit …

Fermion encodings and algorithms for quantum simulation

RW Chien - 2023 - digitalcommons.dartmouth.edu
The study of the properties of quantum mechanical systems of many particles occupies a
central role in condensed matter physics, high-energy physics, and quantum chemistry. In …