%0 Generic %1 mcclean2017openfermion %A McClean, Jarrod R. %A Kivlichan, Ian D. %A Steiger, Damian S. %A Cao, Yudong %A Fried, E. Schuyler %A Gidney, Craig %A Häner, Thomas %A Havlíček, Vojtĕch %A Jiang, Zhang %A Neeley, Matthew %A Romero, Jhonathan %A Rubin, Nicholas %A Sawaya, Nicolas P. D. %A Setia, Kanav %A Sim, Sukin %A Sun, Wei %A Sung, Kevin %A Babbush, Ryan %D 2017 %K 2017 arxiv computing paper quantum %T OpenFermion: The Electronic Structure Package for Quantum Computers %U http://arxiv.org/abs/1710.07629 %X Quantum simulation of chemistry and materials is predicted to be a key 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 (www.openfermion.org). OpenFermion is an open-source software library written largely in Python under an Apache 2.0 license, aimed at enabling the simulation of fermionic 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. Moreover, the package is designed to be extensible and robust, maintaining high software standards in documentation and testing. This release paper outlines the key motivations for design choices in OpenFermion and discusses some of the basic OpenFermion functionality available for the initial release of the package, which we believe will aid the community in the development of better quantum algorithms and tools for this exciting area.

@misc{mcclean2017openfermion, abstract = {Quantum simulation of chemistry and materials is predicted to be a key 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 (www.openfermion.org). OpenFermion is an open-source software library written largely in Python under an Apache 2.0 license, aimed at enabling the simulation of fermionic 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. Moreover, the package is designed to be extensible and robust, maintaining high software standards in documentation and testing. This release paper outlines the key motivations for design choices in OpenFermion and discusses some of the basic OpenFermion functionality available for the initial release of the package, which we believe will aid the community in the development of better quantum algorithms and tools for this exciting area.}, added-at = {2017-10-24T21:06:22.000+0200}, author = {McClean, Jarrod R. and Kivlichan, Ian D. and Steiger, Damian S. and Cao, Yudong and Fried, E. Schuyler and Gidney, Craig and Häner, Thomas and Havlíček, Vojtĕch and Jiang, Zhang and Neeley, Matthew and Romero, Jhonathan and Rubin, Nicholas and Sawaya, Nicolas P. D. and Setia, Kanav and Sim, Sukin and Sun, Wei and Sung, Kevin and Babbush, Ryan}, biburl = {https://www.bibsonomy.org/bibtex/2a957098379628358e5a5347de2b11958/achakraborty}, description = {[1710.07629] OpenFermion: The Electronic Structure Package for Quantum Computers}, interhash = {6825fd88f8b8d538d01be86d2d60574f}, intrahash = {a957098379628358e5a5347de2b11958}, keywords = {2017 arxiv computing paper quantum}, note = {cite arxiv:1710.07629}, timestamp = {2017-10-24T21:06:22.000+0200}, title = {OpenFermion: The Electronic Structure Package for Quantum Computers}, url = {http://arxiv.org/abs/1710.07629}, year = 2017 }