Thrust 1: Machine-Learned Interatomic Potentials with Long-Range Physics
Automated active-learning workflows for MLIP training and robust long-range interactions.
Research
Our research program is organized into three integrated thrusts.
Thrust 2: AI-Guided Discovery of Safer, High-Performance Biomedical Monomers
Computational-experimental co-design with UB School of Dental Medicine.
Thrust 3: MLIP-Driven Characterization of Real-World Experiments
Pairing MLIPs with synchrotron experiments at Argonne National Laboratory.