Computational Studies of Nanoscale Materials
Identification and design of promising materials for new technologies using advanced computational methods to predict structure-property relationships for nanoscale materials.
Materials for Energy Storage and Conversion
Identification and design of new materials for energy storage and conversion using fast, scalable computational methods.
Generation and analysis of large amounts of material data to accelerate the discovery and design of new materials.
Extended Time Scale Simulation Studies of Nanoscale Friction
We are developing techniques that aim to extend the time scales accessible with simulation.
Formation Reactions Under Extreme Heating Rates in Nanostructured Multilayer Foils
Developing model system for studying the kinetics of exothermic phase transitions under conditions of rapid thermal and mechanical loading using metallic multilayer foils.
Integrating Computation into the Materials Science and Engineering Core
Providing students with experience with simulation and modeling of materials and evaluating the extent to which this revision improves the assimilation of core MSE concepts and the students’ lifelong learning goals.
Mechanical Properties of Polymer Materials Using Continuum Mechanics and Molecular Dynamics
Investigating the influence of block architectures on mechanical properties and molecular chain movement using molecular dynamics simulations.
Meta-Codes for Computational Kinetics
Developing computer programs called "meta-codes" for predicting the way small and nanometer-scale features of materials evolve over time.