Quantum chemistry, classical heuristics, and quantum advantage

2024/07/15 by Chan, Garnet Kin-Lic
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Quantum Physics (quant-ph) #Strongly Correlated Electrons (cond-mat.str-el)

paper · doi:10.48550/arxiv.2407.11235

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 and a classification of different avenues for quantum advantage) in the hope that this may stimulate future analysis.

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