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June 1, 2026Digital Discovery0 citationsOpen Access

A property–agnostic framework for scalable molecular inverse design via quantum annealing

YDYuki DeguchiMTMasato Taki

Key Points

  • To develop a framework for scalable molecular inverse design that is independent of molecular properties.
  • Implemented a quantum annealing approach for molecular design.
  • Created algorithms that do not rely on specific molecular characteristics.
  • Evaluated the effectiveness of the framework through computational simulations.
  • Showed significant scalability in designing molecules across various fields.
  • Demonstrated enhanced efficiency in producing desired molecular structures.
  • Indicated potential for broad application in innovative technologies.

Abstract

Technologies for designing molecules with deTechnologies for designing molecules with desired properties have the potential to drive innovation across a wide range of fields. Molecular inverse design typically involves three...

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Cite This Study

Deguchi et al. (2026) studied this question.

synapsesocial.com/papers/6a1d234302fbce9130638ef0https://doi.org/10.1039/d6dd00012f
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