Literature DB >> 21166541

Simulating chemistry using quantum computers.

Ivan Kassal1, James D Whitfield, Alejandro Perdomo-Ortiz, Man-Hong Yung, Alán Aspuru-Guzik.   

Abstract

The difficulty of simulating quantum systems, well known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors.

Year:  2011        PMID: 21166541     DOI: 10.1146/annurev-physchem-032210-103512

Source DB:  PubMed          Journal:  Annu Rev Phys Chem        ISSN: 0066-426X            Impact factor:   12.703


  16 in total

1.  A quantum-quantum Metropolis algorithm.

Authors:  Man-Hong Yung; Alán Aspuru-Guzik
Journal:  Proc Natl Acad Sci U S A       Date:  2012-01-03       Impact factor: 11.205

2.  Digital quantum simulation of the statistical mechanics of a frustrated magnet.

Authors:  Jingfu Zhang; Man-Hong Yung; Raymond Laflamme; Alán Aspuru-Guzik; Jonathan Baugh
Journal:  Nat Commun       Date:  2012-06-06       Impact factor: 14.919

3.  Are accurate computations of the 13C' shielding feasible at the DFT level of theory?

Authors:  Jorge A Vila; Yelena A Arnautova; Osvaldo A Martin; Harold A Scheraga
Journal:  J Comput Chem       Date:  2013-12-03       Impact factor: 3.376

4.  Quantum reform.

Authors:  Leonie Mueck
Journal:  Nat Chem       Date:  2015-05       Impact factor: 24.427

5.  Elucidating reaction mechanisms on quantum computers.

Authors:  Markus Reiher; Nathan Wiebe; Krysta M Svore; Dave Wecker; Matthias Troyer
Journal:  Proc Natl Acad Sci U S A       Date:  2017-07-03       Impact factor: 11.205

6.  Quantum simulation of tunneling in small systems.

Authors:  Andrew T Sornborger
Journal:  Sci Rep       Date:  2012-08-22       Impact factor: 4.379

7.  Solving quantum ground-state problems with nuclear magnetic resonance.

Authors:  Zhaokai Li; Man-Hong Yung; Hongwei Chen; Dawei Lu; James D Whitfield; Xinhua Peng; Alán Aspuru-Guzik; Jiangfeng Du
Journal:  Sci Rep       Date:  2011-09-09       Impact factor: 4.379

8.  Quantum chemistry and charge transport in biomolecules with superconducting circuits.

Authors:  L García-Álvarez; U Las Heras; A Mezzacapo; M Sanz; E Solano; L Lamata
Journal:  Sci Rep       Date:  2016-06-21       Impact factor: 4.379

9.  Observing fermionic statistics with photons in arbitrary processes.

Authors:  Jonathan C F Matthews; Konstantinos Poulios; Jasmin D A Meinecke; Alberto Politi; Alberto Peruzzo; Nur Ismail; Kerstin Wörhoff; Mark G Thompson; Jeremy L O'Brien
Journal:  Sci Rep       Date:  2013       Impact factor: 4.379

10.  Adiabatic quantum simulation of quantum chemistry.

Authors:  Ryan Babbush; Peter J Love; Alán Aspuru-Guzik
Journal:  Sci Rep       Date:  2014-10-13       Impact factor: 4.379

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