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 …

[HTML][HTML] Recent developments in the PySCF program package

Q Sun, X Zhang, S Banerjee, P Bao, M Barbry… - The Journal of …, 2020 - pubs.aip.org
P y SCF is a Python-based general-purpose electronic structure platform that supports first-
principles simulations of molecules and solids as well as accelerates the development of …

Quantum logic with spin qubits crossing the surface code threshold

X Xue, M Russ, N Samkharadze, B Undseth… - Nature, 2022 - nature.com
High-fidelity control of quantum bits is paramount for the reliable execution of quantum
algorithms and for achieving fault tolerance—the ability to correct errors faster than they …

[HTML][HTML] A quantum engineer's guide to superconducting qubits

P Krantz, M Kjaergaard, F Yan, TP Orlando… - Applied physics …, 2019 - pubs.aip.org
The aim of this review is to provide quantum engineers with an introductory guide to the
central concepts and challenges in the rapidly accelerating field of superconducting …

Hartree-Fock on a superconducting qubit quantum computer

Google AI Quantum and Collaborators*†, F Arute… - Science, 2020 - science.org
The simulation of fermionic systems is among the most anticipated applications of quantum
computing. We performed several quantum simulations of chemistry with up to one dozen …

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 …

[HTML][HTML] PSI4 1.4: Open-source software for high-throughput quantum chemistry

DGA Smith, LA Burns, AC Simmonett… - The Journal of …, 2020 - pubs.aip.org
PSI4 is a free and open-source ab initio electronic structure program providing
implementations of Hartree–Fock, density functional theory, many-body perturbation theory …

Pennylane: Automatic differentiation of hybrid quantum-classical computations

V Bergholm, J Izaac, M Schuld, C Gogolin… - arxiv preprint arxiv …, 2018 - arxiv.org
PennyLane is a Python 3 software framework for differentiable programming of quantum
computers. The library provides a unified architecture for near-term quantum computing …

Quantum annealing for industry applications: Introduction and review

S Yarkoni, E Raponi, T Bäck… - Reports on Progress in …, 2022 - iopscience.iop.org
Quantum annealing (QA) is a heuristic quantum optimization algorithm that can be used to
solve combinatorial optimization problems. In recent years, advances in quantum …

Quantum simulation for high-energy physics

CW Bauer, Z Davoudi, AB Balantekin, T Bhattacharya… - PRX quantum, 2023 - APS
It is for the first time that quantum simulation for high-energy physics (HEP) is studied in the
US decadal particle-physics community planning, and in fact until recently, this was not …