Physical and Theoretical Chemistry

PChem lab

Our department supports many different theoretical and computational activities. These range from development of theories and models for chemistry, biochemistry, materials and engineering to development of algorithms and methods that are efficient on many different types of computers to application of models to elucidate physical and chemical properties of many different types of chemical systems. Some of our groups are fully focused on theoretical and computational development and use, while other groups combine both computation and experiment. In either case, all of our groups are highly collaborative and enjoy solving important chemical challenges.

People

  • mark gordon
    Position
    • Distinguished Professor
    Method Development for Computational Chemistry and Materials Massively Parallel Computational Chemistry Software Engineering Intermolecular Interactions including Solvent Effects in Ground and Excited States
  • Frederic A Perras
    Position
    • Adjunct Associate Professor
    • Ames Laboratory Scientist III
    NMR Spectroscopy Dynamic Nuclear Polarization Spin Dynamics Heterogeneous Catalysis Interfaces
  • Davit Potoyan
    Position
    • Associate Professor
    Computational Biophysics Enzymes Ion Channels Biomolecular Condensates Molecular Dynamics Machine Learning Bioinformatics
  • ryan richard
    Pronouns
    he/him/his
    Position
    • Assistant Adjunct Professor
    • Ames Scientist II
    Electronic Structure Theory Scientific Software Development
  • theresa windus
    Position
    • Department Chair
    • Distinguished Professor
    High Performance Computational Chemistry Heavy Elements Catalyst Reaction Mechanisms Sustainable Software Engineering Reaction Automation Environmental and Energy Solutions
  • Peng Xu
    Position
    • Assistant Adjunct Professor
    Quantum Chemistry Computational Chemistry Intermolecular Interactions Solvent Effects Carbon Capture Storage and Utilization High Performance Computing