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Ground-state energy of the [4Fe-4S] iron–sulfur cluster
Find the lowest variational energy of a 54-electron, 36-orbital [4Fe-4S] cluster model; DMRG reaches about −327.24 Eh, the tracker's best entry −327.175.
| 1 | { |
| 2 | "domain": "chemistry-materials", |
| 3 | "topics": [ |
| 4 | "computational-chemistry", |
| 5 | "quantum-information" |
| 6 | ], |
| 7 | "type": "algorithm", |
| 8 | "cover": { |
| 9 | "motif": "atom" |
| 10 | }, |
| 11 | "benchmark": { |
| 12 | "task": "Find the lowest variational energy of the [4Fe-4S] (54e, 36o) Hamiltonian", |
| 13 | "metric": { |
| 14 | "name": "Variational energy (Eh)", |
| 15 | "better": "lower" |
| 16 | }, |
| 17 | "baseline": { |
| 18 | "name": "TrimCI_202511_6e7 on 4fe_4s_54e_36o (issue #58)", |
| 19 | "score": -327.175 |
| 20 | } |
| 21 | }, |
| 22 | "source": { |
| 23 | "key": "quantum-advantage", |
| 24 | "name": "Quantum Advantage Tracker", |
| 25 | "url": "https://github.com/quantum-advantage-tracker/quantum-advantage-tracker.github.io/tree/main/data/variational-problems/hamiltonians/4fe_4s", |
| 26 | "id": "4fe_4s_54e_36o", |
| 27 | "curator": "Quantum Advantage Tracker reviewers (IBM, Flatiron Institute, BlueQubit, Algorithmiq and others)", |
| 28 | "poser": "IBM and RIKEN (tracker instance); active space from Li and Chan (2017)", |
| 29 | "status": "baseline benchmark", |
| 30 | "as_of": "2026-10-20", |
| 31 | "catalog": "0521c19bbd38" |
| 32 | }, |
| 33 | "review": true, |
| 34 | "approval": "first-time" |
| 35 | } |