Mr. Rashid Ali is a researcher in Computational Materials Science, affiliated with the Green Institute of Chemical, Biomedical and Environmental Sciences (GICBES), Lahore, Pakistan. His research interests include Density Functional Theory (DFT), computational chemistry, machine learning, photocatalysis, renewable energy, and advanced functional materials. His work focuses on the computational design and investigation of perovskites, photocatalytic materials, hydrogen-storage materials, thermoelectric compounds, and optoelectronic materials.

He integrates first-principles calculations, computational modelling, and artificial intelligence to understand and predict material properties and accelerate materials discovery. He is also involved in the development of Thermoverse, an AI-driven platform for predicting thermoelectric properties and rapidly screening potential materials. His research aims to support the development of sustainable energy technologies, environmental applications, and next-generation functional materials.