Main projectsExploring materials informatics approaches and how these can be applied to a wide range of materials challenges:- Similarity analysis to quantify differences between spectral measurements, e.g. B4C amorphization measured from Raman- Sensitivity analysis for the purpose of domain reduction of high-dimensional problems- Use of surrogate model to optimize high-dimensional reactive interatomic potentials- Quantifying uncertainty of optimized models, which are verified and validated against simulationsDevelopment of mesoscale models that couple external fields (e.g. magnetic field) to microstructural features- Simulated texture evolution as a function of field strength capturing texture alignment- Implemented code into a parallelized C++ framework and transitioned to partners for incorporation into their codes

- Investigated defect formation energies of bulk Ga–based semiconductor systems- Implemented the Tersoff–Brenner potential as parameterized and adapted by Albe et al. for GaAs into theMOLDY code and coupled to the short–range interaction ZBL potential- Upgraded the MOLDY code from a FORTRAN 77 syntax to a Fortran 95 equivalent, allowing for better editing and dynamic memory allocation- Assisted in the development of course material for a computational nuclear materials course on atomistic simulation of radiation damage, where larger scales were also studied- Developed laboratory exercises and tutorials, and edited lecture slides, homework and other course material

Assist on the grading and evaluation of course assigned work.

Development of deterministic-statistical hybrid models to study radiation influenced microstructural evolution.

Summer intern working on the development of a new application that models ion irradiation effects on specific semiconductors. These semiconductors develop 3D "patterned" structures under certain irradiation conditions.