Quantum Chemistry in the Age of Quantum Computing.

Autor:	Cao Y; Department of Chemistry and Chemical Biology , Harvard University , Cambridge , Massachusetts 02138 , United States.; Zapata Computing Inc. , Cambridge , Massachusetts 02139 , United States., Romero J; Department of Chemistry and Chemical Biology , Harvard University , Cambridge , Massachusetts 02138 , United States.; Zapata Computing Inc. , Cambridge , Massachusetts 02139 , United States., Olson JP; Department of Chemistry and Chemical Biology , Harvard University , Cambridge , Massachusetts 02138 , United States.; Zapata Computing Inc. , Cambridge , Massachusetts 02139 , United States., Degroote M; Department of Chemistry and Chemical Biology , Harvard University , Cambridge , Massachusetts 02138 , United States.; Department of Chemistry , University of Toronto , Toronto , Ontario M5G 1Z8 , Canada.; Department of Computer Science , University of Toronto , Toronto , Ontario M5G 1Z8 , Canada., Johnson PD; Department of Chemistry and Chemical Biology , Harvard University , Cambridge , Massachusetts 02138 , United States.; Zapata Computing Inc. , Cambridge , Massachusetts 02139 , United States., Kieferová M; Zapata Computing Inc. , Cambridge , Massachusetts 02139 , United States.; Department of Physics and Astronomy , Macquarie University , Sydney , NSW 2109 , Australia.; Institute for Quantum Computing and Department of Physics and Astronomy , University of Waterloo , Waterloo , Ontario N2L 3G1 , Canada., Kivlichan ID; Department of Chemistry and Chemical Biology , Harvard University , Cambridge , Massachusetts 02138 , United States.; Department of Physics , Harvard University , Cambridge , Massachusetts 02138 , United States., Menke T; Department of Physics , Harvard University , Cambridge , Massachusetts 02138 , United States.; Research Laboratory of Electronics , Massachusetts Institute of Technology , Cambridge , Massachusetts 02139 , United States.; Department of Physics , Massachusetts Institute of Technology , Cambridge , Massachusetts 02139 , United States., Peropadre B; Zapata Computing Inc. , Cambridge , Massachusetts 02139 , United States., Sawaya NPD; Intel Laboratories , Intel Corporation , Santa Clara , California 95054 United States., Sim S; Department of Chemistry and Chemical Biology , Harvard University , Cambridge , Massachusetts 02138 , United States.; Zapata Computing Inc. , Cambridge , Massachusetts 02139 , United States., Veis L; J. Heyrovský Institute of Physical Chemistry , Academy of Sciences of the Czech Republic v.v.i. , Doleǰskova 3 , 18223 Prague 8, Czech Republic., Aspuru-Guzik A; Department of Chemistry and Chemical Biology , Harvard University , Cambridge , Massachusetts 02138 , United States.; Zapata Computing Inc. , Cambridge , Massachusetts 02139 , United States.; Department of Chemistry , University of Toronto , Toronto , Ontario M5G 1Z8 , Canada.; Department of Computer Science , University of Toronto , Toronto , Ontario M5G 1Z8 , Canada.; Canadian Institute for Advanced Research , Toronto , Ontario M5G 1Z8 , Canada.; Vector Institute for Artificial Intelligence , Toronto , Ontario M5S 1M1 , Canada.
Jazyk:	angličtina
Zdroj:	Chemical reviews [Chem Rev] 2019 Oct 09; Vol. 119 (19), pp. 10856-10915. Date of Electronic Publication: 2019 Aug 30.
DOI:	10.1021/acs.chemrev.8b00803
Abstrakt:	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.
Databáze:	MEDLINE
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