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Quantum State Preparation Representation

Rapid Dissipative Ground State Preparation at Chemical Transition States

arXiv
Authors: Thomas W. Watts, Soumya Sarkar, Daniel Collins, Nam Nguyen, Luke Quezada, Michael J. Bremner, Samuel J. Elman

Year

2026

Paper ID

88

Status

Preprint

Abstract Read

~2 min

Abstract Words

156

Citations

N/A

Abstract

Simulating chemical reactions is a central challenge in computational chemistry, characterized by an uneven difficulty profile: while equilibrium reactant and product geometries are often classically tractable, intermediate transition states frequently exhibit strong correlation that defies standard approximations. We present a protocol for dissipative ground state preparation that exploits this structure by treating the reaction path itself as a computational primitive. Our protocol uses an approach where a state prepared at a tractable geometry is propagated along a discretized reaction coordinate using Procrustes-aligned orbital rotations and stabilized by engineered dissipative cooling. We show that for reaction paths satisfying a localized Eigenstate Thermalization Hypothesis (ETH) drift condition in the strongly correlated regime, the algorithm prepares ground states of chemical systems with No orbitals to an energy error εE with a total gate complexity scaling as widetilde{O}\(No3E\). We provide logical resource estimates for benchmark systems including FeMoco, Cytochrome P450, and Ru-based carbon capture catalysts.

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  • This paper contributes to the Quantum State Preparation & Representation research area in the Quantum Articles archive.
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  • Simulating chemical reactions is a central challenge in computational chemistry, characterized by an uneven difficulty profile: while equilibrium reactant and product...

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