Shilie Pan

Fluorination‐Driven Molecular Polarization Engineering in Hydroxyfluorooxoborates for Generating Strong Short‐Wavelength Nonlinear Optical Responses

ABSTRACT The short‐wavelength ultraviolet (UV, <280 nm) all‐solid‐state lasers, which rely on nonlinear optical (NLO) crystals for second‐harmonic generation (SHG), are of great significance for advanced scientific and industrial. However, the inherent randomness of obtaining non...

The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals

Nonlinear optical (NLO) crystals are essential for laser frequency conversion, yet rational crystal design remains challenging due to intrinsic trade-offs among key performance parameters. This review establishes a multi-scale design paradigm to unify fragmented knowledge of NLO...

Accelerating theDiscovery of Deep-Ultraviolet NonlinearOptical Materials by Combining Machine Learning Interatomic Potentialswith First-Principles Calculations: A Case of LiB2O3F

Abstract Discovering deep-ultraviolet (deep-UV) nonlinear optical (NLO) crystals is hampered by the vast structural search space and the cost of first-principles screening. Here, we establish an integrated framework coupling machine learning interatomic potential (MLIP) construct...