Computational quantum chemistry: Classical gaps, quantum opportunities, open questions Part 2
summary
Claims a hybrid workflow that compresses strong-correlation space into a small n‑particle basis and then uses a quantum device to evaluate matrix elements that are classically exponential, producing a variational energy; core quantum step is the Hadamard test to get off‑diagonal elements, followed by a classical generalized eigenvalue solve. Implements a unitary cluster Jastrow ansatz (L truncation) and tests on LiF, H4 and cyclobutadiene; IBM runs on methylene and N2 exist. Measurement strategies include classical shadows. Device estimate for an OEC core is ~200 physical qubits with modest error correction.
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chapters (12)
- 0:00Introduction
- 2:25Key to viable quantum computing
- 4:39Top500org
- 6:29Quantum device progress
- 7:19Strong correlation
- 15:37Classically solvable
- 17:52Measurement efficiency
- 18:37Exponential speed up
- 21:37Correlation factor dressing
- 24:02unitary cluster gastro
- 25:27grand challenges
- 27:27summary
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