- Lead the simulation subteam within Georgia Tech's VIP partnership with Sandia National Laboratories.
- Developing a workflow linking GaN molecular-dynamics trajectories to Quantum ESPRESSO calculations of electronic response.
- Current scope: controlled lattice disturbances, atomic-snapshot conversion, and work-function analysis with numerical convergence checks.
Compound Semiconductor Products VIP
Atomistic-to-electronic modeling of GaN to investigate the physical mechanism of neutron detection