Rapid Dissipative Ground State Preparation at Chemical Transition States

• URL: http://arxiv.org/abs/2602.11603v1
• Date: Thu, 12 Feb 2026 05:46:07 GMT
• Title: Rapid Dissipative Ground State Preparation at Chemical Transition States
• Authors: Thomas W. Watts, Soumya Sarkar, Daniel Collins, Nam Nguyen, Luke Quezada, Michael J. Bremner, Samuel J. Elman,
• Abstract summary: We present a protocol for dissipative ground state preparation that exploits this structure by treating the reaction path itself as a computational primitive.<n>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.<n>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 $N_o$ orbitals to an energy error $_E$ with a total gate complexity
• Score: 4.732179873286638
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• 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 $N_o$ orbitals to an energy error $ε_E$ with a total gate complexity scaling as $\widetilde{O}(N_o^{3}/ε_E)$. We provide logical resource estimates for benchmark systems including FeMoco, Cytochrome P450, and Ru-based carbon capture catalysts.

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