Spiers Memorial Lecture: Quantum chemistry, classical heuristics, and quantum advantage

2024/01/01 by Garnet Kin‐Lic Chan · 1 voice · 19 citations
Chemistry · Computer Science · Physics and Astronomy · #Catalysis #Chemistry #Computer science #Heuristics #Materials science #Nanotechnology #Organic chemistry #Physics #Quantum #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum chemistry #Quantum many-body systems #Quantum mechanics #Reaction mechanism #Statistical physics #Theoretical physics

paper · pdf · doi:10.1039/d4fd00141a

published in Faraday Discussions 254(0), 11-52 (Royal Society of Chemistry)

openalex publication_date 2024/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/02

Abstract

We describe the problems of quantum chemistry, the intuition behind classical heuristic methods used to solve them, a conjectured form of the classical complexity of quantum chemistry problems, and the subsequent opportunities for quantum advantage. This article is written for both quantum chemists and quantum information theorists. In particular, we attempt to summarize the domain of quantum chemistry problems as well as the chemical intuition that is applied to solve them within concrete statements (such as a classical heuristic cost conjecture) in the hope that this may stimulate future analysis.

Citations

• Colloquium: Area laws for the entanglement entropy
• Matrix product states, projected entangled pair states, and variational renormalization group methods for quantum spin systems
• Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

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Discussions

• Spiers Memorial Lecture: Quantum chemistry, classical heuristics, and quantum advantage doi.org/10.1039/D4FD... #compchem [bsky, 19 points, 0 comments]

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