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arXiv · 2301.04114

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
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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.

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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. 2023-01-10. Drug design on quantum computers. https://doi.org/10.1038/s41567-024-02411-5

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