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Quantum Chemistry in the Age of Quantum Computing.

Authors :
Cao Y
Romero J
Olson JP
Degroote M
Johnson PD
Kieferová M
Kivlichan ID
Menke T
Peropadre B
Sawaya NPD
Sim S
Veis L
Aspuru-Guzik A
Source :
Chemical reviews [Chem Rev] 2019 Oct 09; Vol. 119 (19), pp. 10856-10915. Date of Electronic Publication: 2019 Aug 30.
Publication Year :
2019

Abstract

Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced, the complexity of quantum mechanics remains hard to appease. The advent of quantum computation brings new pathways to navigate this challenging and complex landscape. By manipulating quantum states of matter and taking advantage of their unique features such as superposition and entanglement, quantum computers promise to efficiently deliver accurate results for many important problems in quantum chemistry, such as the electronic structure of molecules. In the past two decades, significant advances have been made in developing algorithms and physical hardware for quantum computing, heralding a revolution in simulation of quantum systems. This Review provides an overview of the algorithms and results that are relevant for quantum chemistry. The intended audience is both quantum chemists who seek to learn more about quantum computing and quantum computing researchers who would like to explore applications in quantum chemistry.

Details

Language :
English
ISSN :
1520-6890
Volume :
119
Issue :
19
Database :
MEDLINE
Journal :
Chemical reviews
Publication Type :
Academic Journal
Accession number :
31469277
Full Text :
https://doi.org/10.1021/acs.chemrev.8b00803