Developed a new tolerance factor using an approach called SISSO to predict the stability of perovskites; conducted studies on how noncovalent interactions influence the electronic, optical, and mechanical properties of materials derived from π-conjugated molecules, oligomers, and polymers.
Research Experience
Involved in research on how noncovalent intermolecular interactions affect molecular packing and electronic properties in organic electronic materials; developed a new tolerance factor to predict the stability of perovskite oxides and halides.
Background
Research interests include the application of machine learning in materials science, particularly for predicting quantum mechanical properties of atomic systems; computational materials discovery through high-throughput and statistical learning methods; and electronic structure calculations.