At the IAS Center for Quantum Technologies, I simulated nitrogen-vacancy (NV) centers to estimate electron–nuclear hyperfine parameters. The goal was to support state-preparation work without spending weeks on calibration sweeps.
We treated the problem as a cost-function minimization: simulate the NV dynamics, compare candidate hyperfine parameters against measured traces, and search for the combinations that minimize amplitude and phase error.
Strong- and weak-coupling regimes behaved differently, so we split the search space and used separate priors to keep the optimization stable.
The result was a small set of Hamiltonians that matched the lab data within tolerance. Those fits fed into later state-preparation studies and gave us a starting point for further sensing experiments.