Chemistry and Chemical Engineering, Materials Science
Artificial Intelligence, Bayesian Methods, Causal Inference, Classification, Computational Tools for Data Science, Data Collection Design, Data Management, Data Mining, Data Visualization, High-Dimensional Data Analysis, Machine Learning, Natural Language Processing, Optimization, Predictive Modeling, Statistical Inference, Statistical Modeling

Wenhao Sun

Assistant Professor

Materials Science and Engineering

We are interested in resolving outstanding fundamental scientific problems that impede the computational materials design process. Our group uses high-throughput density functional theory, applied thermodynamics, and materials informatics to deepen our fundamental understanding of synthesis-structure-property relationships, while exploring new chemical spaces for functional technological materials. These research interests are driven by the practical goal of the U.S. Materials Genome Initiative to accelerate materials discovery, but whose resolution requires basic fundamental research in synthesis science, inorganic chemistry, and materials thermodynamics.