Project Overview
Low-dimensional perovskites are promising semiconductor materials for next-generation X-ray sensors. Their atomic structures fluctuate continuously, and these dynamic changes strongly influence their electronic and physical properties. This project combines molecular dynamics with AI to analyze the structural evolution at the atomic scale and reveal how it governs semiconductor performance.
International Research Collaboration
The project will be conducted in collaboration with researchers at the University of Oxford and Northeastern University, bringing together international expertise in computational materials science, AI-driven simulation, and semiconductor materials.
Research Objectives
- Develop AI-driven molecular dynamics methods for low-dimensional perovskite semiconductors.
- Identify dynamic structure–property relationships through atomistic simulations.
- Predict promising semiconductor candidates for next-generation X-ray sensors and guide subsequent experiments.