Drug design on quantum computers

Raffaele Santagati; Alan Aspuru-Guzik; Ryan Babbush; Matthias Degroote; Leticia Gonzalez; Elica Kyoseva; Nikolaj Moll; Markus Oppel; Robert M. Parrish; Nicholas C. Rubin; Michael Streif; Christofer S. Tautermann; Horst Weiss; Nathan Wiebe; Clemens Utschig-Utschig

doi:10.1038/s41567-024-02411-5

Drug design on quantum computers

Quantum Physics 2024-03-05 v1

Authors: Raffaele Santagati , Alan Aspuru-Guzik , Ryan Babbush , Matthias Degroote , Leticia Gonzalez , Elica Kyoseva , Nikolaj Moll , Markus Oppel , Robert M. Parrish , Nicholas C. Rubin , Michael Streif , Christofer S. Tautermann , Horst Weiss , Nathan Wiebe , Clemens Utschig-Utschig

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Abstract

Quantum computers promise to impact industrial applications, for which quantum chemical calculations are required, by virtue of their high accuracy. This perspective explores the challenges and opportunities of applying quantum computers to drug design, discusses where they could transform industrial research and elaborates on what is needed to reach this goal.

Keywords

quantum computing quantum computation

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@article{arxiv.2301.04114,
  title  = {Drug design on quantum computers},
  author = {Raffaele Santagati and Alan Aspuru-Guzik and Ryan Babbush and Matthias Degroote and Leticia Gonzalez and Elica Kyoseva and Nikolaj Moll and Markus Oppel and Robert M. Parrish and Nicholas C. Rubin and Michael Streif and Christofer S. Tautermann and Horst Weiss and Nathan Wiebe and Clemens Utschig-Utschig},
  journal= {arXiv preprint arXiv:2301.04114},
  year   = {2024}
}

Drug design on quantum computers

Abstract

Keywords

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