OpenFermion: the electronic structure package for quantum computers

被引：269

作者：

McClean, Jarrod R. ^{[1
,27
]}

Rubin, Nicholas C. ^{[1
,2
]}

Sung, Kevin J. ^{[1
,3
]}

Kivlichan, Ian D. ^{[1
,4
]}

Bonet-Monroie, Xavier ^{[5
,6
]}

Cao, Yudong ^{[7
,8
]}

Dai, Chengyu ^{[9
]}

Fried, E. Schuyler ^{[2
,7
]}

Gidney, Craig ^{[1
]}

Gimby, Brendan ^{[3
]}

Gokhale, Pranav ^{[10
]}

Haner, Thomas ^{[11
]}

Hardikar, Tarini ^{[12
]}

Havlicek, Vojtech ^{[13
]}

Higgott, Oscar ^{[14
]}

Huang, Cupjin ^{[3
]}

Izaac, Josh ^{[15
]}

Jiang, Zhang ^{[1
,16
]}

Liu, Xinle ^{[17
]}

McArdle, Sam ^{[18
]}

Neeley, Matthew ^{[1
]}

O'Brien, Thomas ^{[1
,5
]}

O'Gorman, Bryan ^{[16
,19
]}

Ozfidan, Isil ^{[20
]}

Radin, Maxwell D. ^{[8
,21
]}

Romero, Jhonathan ^{[7
,8
]}

Sawaya, Nicolas P. D. ^{[7
]}

Senjean, Bruno ^{[5
,22
]}

Setia, Kanav ^{[12
]}

Sim, Sukin ^{[7
]}

Steiger, Damian S. ^{[11
,23
]}

Steudtner, Mark ^{[5
,6
,27
]}

Sun, Qiming ^{[24
]}

Sun, Wei ^{[17
]}

Wang, Daochen ^{[25
,26
]}

Zhang, Fang ^{[3
]}

Babbush, Ryan ^{[1
,27
]}

机构：

[1] Google Res, Mountain View, CA 94043 USA

[2] Rigetti Comp, Berkeley, CA 94710 USA

[3] Univ Michigan, Dept Elect Engn & Comp Sci, Ann Arbor, MI 48109 USA

[4] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA

[5] Leiden Univ, Inst Lorentz, NL-2300 RA Leiden, Netherlands

[6] Delft Univ Technol, QuTech, Lorentzweg 1, NL-2628 CJ Delft, Netherlands

[7] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA

[8] Zapata Comp Inc, Cambridge, MA 02138 USA

[9] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA

[10] Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA

[11] Swiss Fed Inst Technol, Theoret Phys, CH-8093 Zurich, Switzerland

[12] Dartmouth Coll, Dept Phys, Hanover, NH 03755 USA

[13] Univ Oxford, Dept Comp Sci, Oxford OX1 3QD, England

[14] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England

[15] Xanadu, 372 Richmond St W, Toronto, ON M5V 1X6, Canada

[16] NASA, QuAIL, Ames Res Ctr, Moffett Field, CA 94035 USA

[17] Google Inc, Mountain View, CA 94043 USA

[18] Univ Oxford, Dept Mat, Parks Rd, Oxford OX1 3PH, England

[19] Univ Calif Berkeley, BQIC, Berkeley, CA 94720 USA

[20] D Wave Syst Inc, Burnaby, BC, Canada

[21] Univ Calif Santa Barbara, Mat Dept, Santa Barbara, CA 93106 USA

[22] Vrije Univ Amsterdam, Div Theoret Chem, De Boelelaan 1083, NL-1081 HV Amsterdam, Netherlands

[23] Google Inc, I-90291 Venice, CA, Italy

[24] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA

[25] Univ Maryland, Joint Ctr Quantum Informat & Comp Sci, College Pk, MD 20742 USA

[26] Riverlane, Cambridge CB2 3BZ, England

[27] Free Univ Berlin, Dahlem Ctr Complex Quantum Syst, D-14195 Berlin, Germany

来源：

QUANTUM SCIENCE AND TECHNOLOGY | 2020年 / 5卷 / 03期

基金：

美国国家科学基金会; 瑞士国家科学基金会;

关键词：

quantum computing; quantum chemistry; !text type='Python']Python[!/text; COUPLED-CLUSTER; SIMULATION; ALGORITHMS; COMPUTATION; CHEMISTRY;

D O I：

10.1088/2058-9565/ab8ebc

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Quantum simulation of chemistry and materials is predicted to be an important application for both near-term and fault-tolerant quantum devices. However, at present, developing and studying algorithms for these problems can be difficult due to the prohibitive amount of domain knowledge required in both the area of chemistry and quantum algorithms. To help bridge this gap and open the field to more researchers, we have developed the OpenFermion software package (). OpenFermion is an open-source software library written largely in Python under an Apache 2.0 license, aimed at enabling the simulation of fermionic and bosonic models and quantum chemistry problems on quantum hardware. Beginning with an interface to common electronic structure packages, it simplifies the translation between a molecular specification and a quantum circuit for solving or studying the electronic structure problem on a quantum computer, minimizing the amount of domain expertise required to enter the field. The package is designed to be extensible and robust, maintaining high software standards in documentation and testing. This release paper outlines the key motivations behind design choices in OpenFermion and discusses some basic OpenFermion functionality which we believe will aid the community in the development of better quantum algorithms and tools for this exciting area of research.

引用

页数：22

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