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2
3OpenFermion is an open source library for compiling and analyzing quantum
4algorithms to simulate fermionic systems, including quantum chemistry. Among
5other functionalities, this version features data structures and tools
6for obtaining and manipulating representations of fermionic and qubit
7Hamiltonians. For more information, see our
8`release paper <https://arxiv.org/abs/1710.07629>`__.
9
10
11
12.. image:: https://github.com/quantumlib/OpenFermion/workflows/Continuous%20Integration/badge.svg
13 :target: https://github.com/quantumlib/OpenFermion/workflows/Continuous%20Integration/badge.svg
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15.. image:: https://readthedocs.org/projects/openfermion/badge/?version=latest
16 :target: http://openfermion.readthedocs.io/en/latest/?badge=latest
17 :alt: Documentation Status
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19.. image:: https://badge.fury.io/py/openfermion.svg
20 :target: https://badge.fury.io/py/openfermion
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22.. image:: https://img.shields.io/pypi/dm/openfermion
23 :target: https://img.shields.io/pypi/dm/openfermion
24
25
26Run the interactive Jupyter Notebooks in Colab_ or MyBinder_:
27
28.. _Colab: https://colab.research.google.com/github/quantumlib/OpenFermion
29.. _MyBinder: https://mybinder.org/v2/gh/quantumlib/OpenFermion/master?filepath=examples
30
31
32Installation and Documentation
33==============================
34
35Installing the latest **stable** OpenFermion requires pip. Make sure that you are using an up-to-date version of it.
36
37Documentation can be found at `quantumai.google/openfermion <https://quantumai.google/openfermion>`__ and the following links
38
39* `Installation <https://quantumai.google/openfermion/install>`__
40
41* `API Docs <https://quantumai.google/reference/python/openfermion/all_symbols>`__
42
43* `Tutorials <https://quantumai.google/openfermion/tutorials/intro_to_openfermion>`__
44
45Currently, OpenFermion is tested on Mac, Windows, and Linux. We recommend using Mac or Linux because
46the electronic structure plugins are only compatible on these platforms. However,
47for those who would like to use Windows, or for anyone having other difficulties
48with installing OpenFermion or its plugins, we have provided a Docker image
49and usage instructions in the
50`docker folder <https://github.com/quantumlib/OpenFermion/tree/master/docker>`__.
51The Docker image provides a virtual environment with OpenFermion and select plugins pre-installed.
52The Docker installation should run on any operating system.
53
54You might also want to explore the alpha release of the
55`OpenFermion Cloud Library <https://github.com/quantumlib/OpenFermion/tree/master/cloud_library>`__
56where users can share and download precomputed molecular benchmark files.
57
58
59Developer install
60-----------------
61
62To install the latest version of OpenFermion (in development mode):
63
64.. code-block:: bash
65
66 git clone https://github.com/quantumlib/OpenFermion
67 cd OpenFermion
68 python -m pip install -e .
69
70Library install
71---------------
72
73To install the latest PyPI release as a library (in user mode):
74
75.. code-block:: bash
76
77 python -m pip install --user openfermion
78
79Plugins
80=======
81
82OpenFermion relies on modular plugin libraries for significant functionality.
83Specifically, plugins are used to simulate and compile quantum circuits and to perform
84classical electronic structure calculations.
85Follow the links below to learn more!
86
87High performance simulators
88------------------------------------------
89* `OpenFermion-FQE <https://github.com/quantumlib/OpenFermion-FQE>`__ is
90 a high performance emulator of fermionic quantum evolutions specified
91 by a sequence of fermion operators, which can exploit fermionic
92 symmetries such as spin and particle number.
93
94Circuit compilation plugins
95------------------------------------------
96* `Forest-OpenFermion <https://github.com/rigetticomputing/forestopenfermion>`__ to support integration with `Forest <https://www.rigetti.com/forest>`__.
97
98* `SFOpenBoson <https://github.com/XanaduAI/SFOpenBoson>`__ to support integration with `Strawberry Fields <https://github.com/XanaduAI/strawberryfields>`__.
99
100Electronic structure package plugins
101------------------------------------
102* `OpenFermion-Psi4 <http://github.com/quantumlib/OpenFermion-Psi4>`__ to support integration with `Psi4 <http://psicode.org>`__.
103
104* `OpenFermion-PySCF <http://github.com/quantumlib/OpenFermion-PySCF>`__ to support integration with `PySCF <https://github.com/sunqm/pyscf>`__.
105
106* `OpenFermion-Dirac <https://github.com/bsenjean/Openfermion-Dirac>`__ to support integration with `DIRAC <http://diracprogram.org/doku.php>`__.
107
108How to contribute
109=================
110
111We'd love to accept your contributions and patches to OpenFermion.
112There are a few small guidelines you need to follow.
113Contributions to OpenFermion must be accompanied by a Contributor License Agreement.
114You (or your employer) retain the copyright to your contribution,
115this simply gives us permission to use and redistribute your contributions as part of the project.
116Head over to https://cla.developers.google.com/
117to see your current agreements on file or to sign a new one.
118
119All submissions, including submissions by project members, require review.
120We use GitHub pull requests for this purpose. Consult
121`GitHub Help <https://help.github.com/articles/about-pull-requests/>`__ for
122more information on using pull requests.
123Furthermore, please make sure your new code comes with extensive tests!
124We use automatic testing to make sure all pull requests pass tests and do not
125decrease overall test coverage by too much. Make sure you adhere to our style
126guide. Just have a look at our code for clues. We mostly follow
127`PEP 8 <https://www.python.org/dev/peps/pep-0008/>`_ and use
128the corresponding `linter <https://pypi.python.org/pypi/pep8>`_ to check for it.
129Code should always come with documentation, which is generated automatically and can be found
130`here <http://openfermion.readthedocs.io/en/latest/openfermion.html>`_.
131
132We use `Github issues <https://github.com/quantumlib/OpenFermion/issues>`__
133for tracking requests and bugs. Please post questions to the
134`Quantum Computing Stack Exchange <https://quantumcomputing.stackexchange.com/>`__ with an 'openfermion' tag.
135
136Authors
137=======
138
139`Ryan Babbush <http://ryanbabbush.com>`__ (Google),
140`Jarrod McClean <http://jarrodmcclean.com>`__ (Google),
141`Nicholas Rubin <https://github.com/ncrubin>`__ (Google),
142`Kevin Sung <https://github.com/kevinsung>`__ (University of Michigan),
143`Ian Kivlichan <http://aspuru.chem.harvard.edu/ian-kivlichan/>`__ (Harvard),
144`Dave Bacon <https://github.com/dabacon>`__ (Google),
145`Xavier Bonet-Monroig <https://github.com/xabomon>`__ (Leiden University),
146`Yudong Cao <https://github.com/yudongcao>`__ (Harvard),
147`Chengyu Dai <https://github.com/jdaaph>`__ (University of Michigan),
148`E. Schuyler Fried <https://github.com/schuylerfried>`__ (Harvard),
149`Craig Gidney <https://github.com/Strilanc>`__ (Google),
150`Brendan Gimby <https://github.com/bgimby>`__ (University of Michigan),
151`Pranav Gokhale <https://github.com/singular-value>`__ (University of Chicago),
152`Thomas Häner <https://github.com/thomashaener>`__ (ETH Zurich),
153`Tarini Hardikar <https://github.com/TariniHardikar>`__ (Dartmouth),
154`Vojtĕch Havlíček <https://github.com/VojtaHavlicek>`__ (Oxford),
155`Oscar Higgott <https://github.com/oscarhiggott>`__ (University College London),
156`Cupjin Huang <https://github.com/pertoX4726>`__ (University of Michigan),
157`Josh Izaac <https://github.com/josh146>`__ (Xanadu),
158`Zhang Jiang <https://ti.arc.nasa.gov/profile/zjiang3>`__ (NASA),
159`William Kirby <https://williammkirby.com>`__ (Tufts University),
160`Xinle Liu <https://github.com/sheilaliuxl>`__ (Google),
161`Sam McArdle <https://github.com/sammcardle30>`__ (Oxford),
162`Matthew Neeley <https://github.com/maffoo>`__ (Google),
163`Thomas O'Brien <https://github.com/obriente>`__ (Leiden University),
164`Bryan O'Gorman <https://ti.arc.nasa.gov/profile/bogorman>`__ (UC Berkeley, NASA),
165`Isil Ozfidan <https://github.com/conta877>`__ (D-Wave Systems),
166`Max Radin <https://github.com/max-radin>`__ (UC Santa Barbara),
167`Jhonathan Romero <https://github.com/jromerofontalvo>`__ (Harvard),
168`Daniel Sank <https://github.com/DanielSank>`__ (Google),
169`Nicolas Sawaya <https://github.com/nicolassawaya>`__ (Harvard),
170`Bruno Senjean <https://github.com/bsenjean>`__ (Leiden University),
171`Kanav Setia <https://github.com/kanavsetia>`__ (Dartmouth),
172`Hannah Sim <https://github.com/hsim13372>`__ (Harvard),
173`Damian Steiger <https://github.com/damiansteiger>`__ (ETH Zurich),
174`Mark Steudtner <https://github.com/msteudtner>`__ (Leiden University),
175`Qiming Sun <https://github.com/sunqm>`__ (Caltech),
176`Wei Sun <https://github.com/Spaceenter>`__ (Google),
177`Daochen Wang <https://github.com/daochenw>`__ (River Lane Research),
178`Chris Winkler <https://github.com/quid256>`__ (University of Chicago),
179`Fang Zhang <https://github.com/fangzh-umich>`__ (University of Michigan) and
180`Emiel Koridon <https://github.com/Emieeel>`__ (Leiden University).
181
182
183
184How to cite
185===========
186When using OpenFermion for research projects, please cite:
187
188 Jarrod R McClean, Nicholas C Rubin, Kevin J Sung, Ian D Kivlichan, Xavier Bonet-Monroig,
189 Yudong Cao, Chengyu Dai, E Schuyler Fried, Craig Gidney, Brendan Gimby, Pranav Gokhale,
190 Thomas Häner, Tarini Hardikar, Vojtěch Havlíček, Oscar Higgott, Cupjin Huang, Josh Izaac,
191 Zhang Jiang, Xinle Liu, Sam McArdle, Matthew Neeley, Thomas O'Brien, Bryan O'Gorman,
192 Isil Ozfidan, Maxwell D Radin, Jhonathan Romero, Nicolas P D Sawaya, Bruno Senjean,
193 Kanav Setia, Sukin Sim, Damian S Steiger, Mark Steudtner, Qiming Sun, Wei Sun, Daochen Wang,
194 Fang Zhang, and Ryan Babbush
195 *OpenFermion: The Electronic Structure Package for Quantum Computers*.
196 `Quantum Science and Technology 5.3 (2020): 034014 <https://iopscience.iop.org/article/10.1088/2058-9565/ab8ebc/meta>`__.
197
198We are happy to include future contributors as authors on later releases.
199
200Disclaimer
201==========
202
203Copyright 2017 The OpenFermion Developers.
204This is not an official Google product.
205
