Molecular Dynamic Simulations

As an undergraduate researcher at the Asta group, I contributed to research on vacancy migration in NbMoTaW high entropy alloys, with findings published in the McNair Journal. I utilized molecular dynamic simulations, developing algorithms to track vacancy movement despite challenges such as high vibrational noise and lattice distortion. Moreover, I worked on advancing the PyDII framework under the mentorship of Dr. Enze Chen, refining computational methods for analyzing defect concentrations in alloys.