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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}\(No3/εE\). We provide logical resource estimates for benchmark systems including FeMoco, Cytochrome P450, and Ru-based carbon capture catalysts.
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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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