The Haber-Bosch process consumes 2% of global energy. Understanding how nitrogenase performs this at ambient conditions is the "Holy Grail" of sustainable chemistry. Project FeMoco-156 focuses on the strongly correlated limits of the metal cluster where classical models face exponential scaling barriers.
"The V9.0 proprietary layer reconstructs the most probable spatial correlation configuration consistent with noisy hardware measurements, guided by the native topology of the processor."
We utilized 111 active qubits on the IBM Marrakesh (Eagle r3) lattice. The topology was mapped natively to the hardware's connectivity map to resolve the pure signal from the hardware entropy.
Using the V9.0 processing pipeline, the following potential energy surface (PES) metrics were recovered and analyzed:
| TL State | Chemical Phase | Inferred ΔG (kcal/mol) | S2B Displacement |
|---|---|---|---|
| E4 (Janus) | Resting State | -15.2 | 0.00 Å |
| TS (Barrier) | Activation Phase | +18.4 | 1.85 Å |
| E6 (Diazene) | N₂H₂ Formation | -4.8 | 1.10 Å |
| E8 (Ammonia) | Final Release | -14.9 | 0.00 Å |
The V9.0 engine identified a structured increase in electronic correlation during the E4 transition. This corresponds to the electronic back-donation where metal orbitals prime the nitrogen ligand, weakening the triple bond. This transition was recovered with a high mutual information alignment (>98%) with theoretical dimerized ground-state targets.
We invite the scientific community to validate these findings. The inferred datasets are available for independent cross-correlation analysis by research partners. We specifically seek review on the stability of the S2B sulfur displacement during the activation pulse as a diagnostic for catalytic efficiency.