Quantum computational chemistry

2018/08/30 by Sam McArdle, Suguru Endo, Alán Aspuru‐Guzik +4 · 1 voice
Computer Science · Physics and Astronomy · #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum and electron transport phenomena #quant-ph

paper · pdf · doi:10.1103/revmodphys.92.015003

arxiv published 2018/08/30 · arxiv updated 2020/01/27 · openalex publication_date 2020/03/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/02

Abstract

With small quantum computers becoming a reality, first applications are eagerly sought. Quantum chemistry presents a spectrum of computational problems, from relatively easy to classically intractable. Algorithms for the easiest of these have been run on the first quantum computers. But an urgent question is, how well will these algorithms scale to go beyond what is possible classically? This review presents strategies employed to construct quantum algorithms for quantum chemistry, with the goal that quantum computers will eventually answer presently inaccessible questions, for example, in transition metal catalysis or important biochemical reactions.

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Discussions

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