We harness high-performance computing through the Minnesota Supercomputing Institute (MSI) to model chemical and biomolecular reactions with exquisite detail. At our core, is the Minnesota Chemical Theory Center (CTC) group, which consists of faculty members and their research groups who specialize in a broad range of cutting-edge computational chemistry research.

Our researchers also benefit from MSI-hosted national and international symposia and workshops in various areas of scientific computation.

Research Topics

  • electronic structure theory
  • Monte Carlo methods
  • potential surfaces & force fields
  • quantum dynamics
  • solvation models
  • statistical mechanics
  • biomolecular simulations
  • chemical reactivity
  • nanomaterials
  • nucleation and phase equilibria
  • photochemistry and thermochemistry

Faculty

  • Christopher Cramer
    • Energy & Catalysis
    • Chemical Theory & Computation
    • Environmental & Green Chemistry
  • Laura Gagliardi
    • Chemical Physics
    • Chemical Theory & Computation
    • Inorganic & Organometallic Chemistry
    • Nanoscience & Materials Chemistry
    • Energy & Catalysis
  • Jiali Gao
    • Chemical Biology
    • Chemical Physics
    • Chemical Theory & Computation
    • Organic Chemistry
    • Energy & Catalysis
  • Jason Goodpaster
    • Chemical Physics
    • Chemical Theory & Computation
    • Energy & Catalysis
    • Nanoscience & Materials Chemistry
  • Steven Kass
    • Organic Chemistry
    • Analytical & Bioanalytical Chemistry
    • Chemical Theory & Computation
    • Experimental Physical Chemistry
  • J. Ilja Siepmann
    • Chemical Physics
    • Chemical Theory & Computation
    • Environmental & Green Chemistry
    • Nanoscience & Materials Chemistry
    • Energy & Catalysis
    • Analytical & Bioanalytical Chemistry
  • Donald Truhlar
    • Chemical Physics
    • Chemical Theory & Computation
    • Environmental & Green Chemistry
    • Nanoscience & Materials Chemistry
    • Energy & Catalysis
    • Chemical Biology