English

Rapid Dissipative Ground State Preparation at Chemical Transition States

Quantum Physics 2026-03-13 v2 Chemical Physics

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 NoN_o orbitals to an energy error ϵE\epsilon_E with a total gate complexity scaling as O~(No3/ϵE)\widetilde{O}(N_o^{3}/\epsilon_E). We provide logical resource estimates for benchmark systems including FeMoco, Cytochrome P450, and Ru-based carbon capture catalysts.

Keywords

Cite

@article{arxiv.2602.11603,
  title  = {Rapid Dissipative Ground State Preparation at Chemical Transition States},
  author = {Thomas W. Watts and Soumya Sarkar and Daniel Collins and Nam Nguyen and Luke Quezada and Michael J. Bremner and Samuel J. Elman},
  journal= {arXiv preprint arXiv:2602.11603},
  year   = {2026}
}

Comments

15 + 13 pages, 4+1 figures