加入
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.
+33 −0 scienceslack.json 新增 查看文件
| @@ -0,0 +1,33 @@ | ||
| 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 | +} | |