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About

Currently I am a PhD candidate in the Ertekin group at the University of Illinois Urbana Champaign. I am interested in applying multiscale modeling to study the mechanisms behind fascinating experimental phenomena or the intriguing properties of structural and functional materials.

Research

The simulation methods I use include density functional theory, cluster expansion, machine-learned interatomic potential, Monte Carlo, and molecular dynamics.

• The traditional cluster expansion amalgamates physically distinct triplet and higher-order interactions into the same effective cluster interactions. We exclude the necessity of orthonormal basis and separate physically distinct interactions in cluster expansion. More
• Recently we developed a cluster expansion framework combining both magnetic and configurational degrees of freedom to study the effect of magnetism on short-range order in austenitic stainless steels. The code is available now on GitHub.