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SYSTEM AND METHOD FOR MOLECULAR DESIGN ON A QUANTUM COMPUTER
SYSTEM AND METHOD FOR MOLECULAR DESIGN ON A QUANTUM COMPUTER
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机译:量子计算机上分子设计的系统和方法
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摘要
A method of designing a molecule for an environment of interest using a quantum computer includes providing a linear superposition of a plurality of molecular species, the plurality of molecular species being initially weighted by equal initial coefficients; determining a lowest-energy quantum state for the superposition of the plurality of molecular species in a vacuum environment and in the environment of interest using a quantum optimization process; calculating a difference in lowest energy states between the vacuum environment and the environment of interest for each molecular species to provide a cost of the superposition of the plurality of molecular species; performing a quantum optimization process to determine a minimum cost for the superposition of the plurality of molecular species and to determine updated coefficients weighting the plurality of molecular species; and identifying the molecule for the environment of interest based on a comparison of the updated coefficients.
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