We are at the Cain Department of Chemical Engineering at Louisiana State University. The research in the group is focused on integrating multi-scale molecular modeling with machine learning to design new soft materials for energy, sustainability, and health applications. 

Soft materials like polymers and biomolecules play a pivotal role in chemical and biomedical fields. Designing these new soft materials with targeted properties usually involves expensive experimental efforts. Alternatively, computational simulations allow us to generate molecular models in a cheap and quick manner and further explore the large and diverse chemical space of soft materials. Data science and machine learning are emerging as powerful tools to facilitate the material design process. Learn more about our research.