Research

Through the creative and innovative use of materials modeling techniques, our group studies materials critical to our energy infrastructure. Current research falls into the following categories:

• • Sources of energy like Solar Thermochemical and Thermoelectrics

  • Electrochemical energy storage like Batteries

  • Efficiency measures like lightweight and efficient Structural Materials

  • Computational tools like Data Mining

Modeling Techniques

• • Density Functional Theory (DFT)

  • High-throughput DFT

  • Kinetic Monte Carlo (KMC)

  • Non-equilibrium Phase Search method

  • PEGS

  • Machine Learning Data Mining

  • Crystal Structure Prediction