Rapid Dissipative Ground State Preparation at Chemical Transition States
Abstrak
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.
Topik & Kata Kunci
Penulis (7)
Thomas W. Watts
Soumya Sarkar
Daniel Collins
Nam Nguyen
Luke Quezada
Michael J. Bremner
Samuel J. Elman
Akses Cepat
- Tahun Terbit
- 2026
- Bahasa
- en
- Sumber Database
- arXiv
- Akses
- Open Access ✓