arXiv Open Access 2026

Rapid Dissipative Ground State Preparation at Chemical Transition States

Thomas W. Watts Soumya Sarkar Daniel Collins Nam Nguyen Luke Quezada +2 lainnya
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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)

T

Thomas W. Watts

S

Soumya Sarkar

D

Daniel Collins

N

Nam Nguyen

L

Luke Quezada

M

Michael J. Bremner

S

Samuel J. Elman

Format Sitasi

Watts, T.W., Sarkar, S., Collins, D., Nguyen, N., Quezada, L., Bremner, M.J. et al. (2026). Rapid Dissipative Ground State Preparation at Chemical Transition States. https://arxiv.org/abs/2602.11603

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2026
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en
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arXiv
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Open Access ✓