This webpage provides data supporting our papers related to nonlinear optical properties from first principles:
- 2024: Trinquet, V. et al. (2024). Second-harmonic generation tensors from high-throughput density-functional perturbation theory. Sci. Data, 11(757), 1–10. doi: 10.1038/s41597-024-03590-9.
- 2025: Trinquet, V., Evans, M. L., & Rignanese, G.-M. (2025). Accelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening. J. Mater. Chem. C, 13(35), 18197–18212. doi: 10.1039/D5TC01335F.