Q<sup>2</sup>Chemistry: A quantum computation platform for quantum chemistry

نویسندگان

چکیده

Quantum computer provides new opportunities for quantum chemistry. In this article, we present a versatile, extensible, and efficient software package, named Q$^2$Chemistry, developing algorithms inspired classical in the field of wave function Hamiltonian can be conveniently mapped into qubit space, then circuits generated according to specific algorithm already implemented package or newly developed by users. The dispatched either physical computer, if available, internal virtual realized simulating circuit on supercomputers. As demonstrated our benchmark simulations with up 72 qubit, Q$^2$Chemistry achieves excellent performance medium scale circuits. Application simulate molecules periodic systems are given analysis.

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ژورنال

عنوان ژورنال: Journal of University of Science and Technology of China

سال: 2022

ISSN: ['0253-2778']

DOI: https://doi.org/10.52396/justc-2022-0118