Drug design on quantum computers

• DOI: 10.1038/s41567-024-02411-5
• Publication Date: 2024-03-04T11:01:41Z
• Authors: Raffaele Santagati; Alan Aspuru-Guzik; Ryan Babbush; Matthias Degroote; Leticia González; Elica Kyoseva; Nikolaj Moll; Markus Oppel; Robert M. Parrish; Nicholas C. Rubin; Michael Streif; Christofer S. Tau...; Horst Weiss; Nathan Wiebe; Clemens Utschig-U...
• Keywords: 102009 Computer simulation; Quantum Physics; 0303 health sciences; 03 medical and health sciences; 104022 Theoretical chemistry; 104022 Theoretische Chemie; 0103 physical sciences; FOS: Physical sciences; Quantum Physics (quant-ph); 01 natural sciences; 102009 Computersimulation

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.