TFermion: a non-Clifford gate cost assessment library of quantum phase estimation algorithms for quantum chemistry

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Verein Forderung Open Access Publizierens Quantenwissenschaf
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Quantum Phase Estimation is one of the most useful quantum computing algorithms for quantum chemistry and as such, significant effort has been devoted to designing efficient implementations. In this article, we introduce TFermion, a library designed to estimate the T-gate cost of such algorithms, for an arbitrary molecule. As examples of usage, we estimate the T-gate cost of a few simple molecules and compare the same Taylorization algorithms using Gaussian and plane-wave basis.
© The Autors. We want to thank the very kind explanations of Emiel Koridon of some calculations in one of his articles and beyond. Similarly, we thank answers from Nicolas Rubin and Ryan Babbush on the use of OpenFermion, Joonho Lee on the code from [39], and Antonio Hidalgo, Maria Jesus Moran, Nelaine Mora and Javier Garcia on quantum chemistry. We acknowledge financial support from the Spanish MINECO grants MINECO/FEDER Projects FIS 2017-91460-EXP, PGC2018-099169-B-I00 FIS-2018, from CAM/FEDER Project No. S2018/TCS-4342 (QUITEMAD-CM), and from Spanish MCIN with funding from European Union NextGenerationEU (PRTR-C17.I1) and Ministry of Economic Affairs Quantum ENIA project. The research of M.A.M.-D. has been partially supported by the U.S. Army Research Office through Grant No. W911NF-14-1-0103. P. A. M. C. thanks the support of a MECD grant FPU17/03620, and R.C. the support of a CAM grant IND2019/TIC17146.
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