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quant-ph2017
OpenFermion: The Electronic Structure Package for Quantum Computers
Jarrod R. McClean, Kevin J. Sung, Ian D. Kivlichan +32
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…
physics.chem-ph2017★ 27 cited
The Python-based Simulations of Chemistry Framework (PySCF)
Qiming Sun, Timothy C. Berkelbach, Nick S. Blunt +9
PySCF is a general-purpose electronic structure platform designed from the ground up to emphasize code simplicity, both to aid new method development, as well as for flexibility in…