High-Performance Computing Simulations for Optical Multidimensional Coherent Spectroscopy Studies of Strained Silicon-Vacancy Centers in Diamond

Negatively charged silicon-vacancy (SiV⁻) centers in diamond are attractive for quantum technologies due to the strong zero-phonon lines in their optical transitions and relative insensitivity to external perturbations like Stark shifts. A key open question is how ensemble-level strain and disorder shape their optical response. Building on prior multidimensional coherent spectroscopy (MDCS) measurements that compared heterodyne and photoluminescence detected spectra, [1,2] and on an initial strain-only simulation framework [3], we develop a high-throughput computational model that couples strain-dependent level shifts to non-radiative pathways into a dark state. Using CUDA-accelerated GPU kernels, we scale up to 1 billion ensemble realizations and generate noise-robust MDCS spectra for both detection schemes. The accelerated simulations reproduce the line-shape disparity between heterodyne and photoluminescence detection. Those simulations also isolate parameter regimes where strain-coupled, non-radiative transfer selectively suppresses photoluminescence while preserving heterodyne pathways, yielding spectra consistent with the presence of a previously undetected dark state. These results corroborate the phenomenology of Ref. [1], they extend the analyses of Refs. [2,3] by identifying when strain alone is insufficient to explain the data. In addition, we benchmark the performance of CPUs vs. GPUs for conducting spectroscopic simulations of ensembles of quantum emitters. Finally, our findings inform device strategies that exploit engineered strain to modulate radiative versus non-radiative emission channels in SiV⁻ center ensembles.

[1] C. L. Smallwood et al., Phys. Rev. Lett. 126, 213601 (2021).

[2] K. Narayan, J. M. Villar, C. L. Smallwood, APS March Meeting, Abstract C09.11 (2025).

[3] C. L. Smallwood, T. W. Chin, and K. M. Bates, APS March Meeting, Abstract M39.01 (2023).