Theory, Computation and Artificial Intelligence

Theory, Computation, and Artificial Intelligence research aims to develop and apply simulation tools based on theories and statistics to predict process behavior and optimize conditions at distinct spatiotemporal scales for engineering and living systems. Success in these areas necessitates an interdisciplinary approach that interfaces applied mathematics, physics, biology, chemistry, and computer science. CBE researchers develop novel computational and artificial intelligence tools to transform a variety of fields including sustainable materials, pharmaceuticals, and health care.

Focus Areas

Machine learning, molecular dynamics, Monte Carlo simulations, multiscale modeling, neural networks

Faculty

Daniel Hallinan Jr., Bruce Locke, Leonardo Liu, Joshua Mysona and Ralm Ricarte