University of North Texas 
Theory, Modeling and Simulations
Foundational Theory and Simulation Techniques
- Atomistic to microscale modeling
- Machine learning and high-throughput techniques
- Quantum computing for materials science
- Symmetry, structure-property relations
Materials Characterization and Optimization
- Electrical, thermal, and ionic transport
- Dielectric and optical response of materials
- Glasses and amorphous structures
- Defect modeling and radiation damage/hardness
Advanced Materials and Device Design
- Nanostructures and heterostructures for next-gen devices
- Surfaces and interfaces engineering
- Novel hybrid architectures
- Far-from-equilibrium, nonlinear response, and complexity
Development and Integration
- Predictive modeling for material and device innovation
- Code development for advanced simulation capabilities
- Integration with experimental and fabrication processes
Electronic Band Structure Computations of Oxide Semiconductors using the AFLOW Computational Infrastructure
Computational Design of WBG Superlattices and Quantum Well Structures
An All-Epitaxial Nitride Heterostructure with Concurrent Quantum Hall Effect and Superconductivity
Nano-Porous Organosilicate Low K Dielectric Model from Reaxff MD
Oxygen Plasma Etching of Low-k Dielectrics from AIMD Simulations
Defect Modeling in p-Type Oxide Semiconductors (Sb doped ZnO)
