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Where numerical and data-driven science improves design, operation and control of complex systems

Advanced computational methods and AI are used by our faculty to model complex chemical and biological systems across many length and time scales. This research contributes physical insight and guides experimental design, and it is being applied across a range of applications including dynamics of proteins and DNA, heterogeneous catalytic reactions, and multiphase flow.

Research Faculty

Research Expertise

  • Computational Protein Design
  • AI/ML and Integer Optimization-driven algorithms
  • Enzyme engineering, Computational Immunology
Rodney Fox portrait

Rodney Fox

Anson Marston Distinguished Professor in Engineering

  • Computational fluid dynamics
  • Multiphase reacting flows
  • Clean energy

Kurt Hebert

Professor

Research Expertise

  • High-energy density alkali metal batteries
  • Mathematical modeling and simulation
  • Electrochemical materials science
Monica Lamm portrait

Monica Lamm

Associate Professor

Research Expertise

  • Molecular modeling and simulation
  • Multiscale simulation
  • Engineering education research

Luke T Roling

Assistant Professor, Jack R. and Carol A. Johnson Faculty Fellow in Chemical and Biological Engineering

Research Expertise

  • Computational materials design
  • Heterogeneous catalysis
  • Surface science
Dennis Vigil portrait

Dennis Vigil

Professor and Reginald R. Baxter Endowed Department Chair

Research Expertise

  • Dispersed phase flows
  • Bioreactors
  • Simulation