Rapid Dissipative Ground State Preparation at Chemical Transition States
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arXiv
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
| Published: |
2026
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| _version_ | 1866910050183806976 |
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| author | Watts, Thomas W. Sarkar, Soumya Collins, Daniel Nguyen, Nam Quezada, Luke Bremner, Michael J. Elman, Samuel J. |
| author_facet | Watts, Thomas W. Sarkar, Soumya Collins, Daniel Nguyen, Nam Quezada, Luke Bremner, Michael J. Elman, Samuel J. |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2602_11603 |
| institution | arXiv |
| publishDate | 2026 |
| record_format | arxiv |
| spellingShingle | Rapid Dissipative Ground State Preparation at Chemical Transition States Watts, Thomas W. Sarkar, Soumya Collins, Daniel Nguyen, Nam Quezada, Luke Bremner, Michael J. Elman, Samuel J. Quantum Physics Chemical Physics 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. |
| title | Rapid Dissipative Ground State Preparation at Chemical Transition States |
| topic | Quantum Physics Chemical Physics |
| url | https://arxiv.org/abs/2602.11603 |