I am a computational physicist specializing in scientific computing and code optimization for high performance resources and next-generation hardware architectures.
I currently work as an Assistant Computational Scientist at Argonne National Laboratory, where I prepare key applications, libraries, and infrastructure for the architecture and scale of the Aurora exascale supercomputer. This is done as part of an effort to combine quantum-mechanical simulations with machine learning and data science to revolutionize the process of photovoltaic design and advance physical understanding of singlet fission.
I was one of the main developers for the FHI-aims electronic structure package (website), for which I implemented GPU acceleration as well as general optimizations targeting massively-parallel calculations. I continue to serve as a member of the FHI-aims advisory group to this day. This work was done as a postdoctoral associate in the group of Prof. Volker Blum (group website) at Duke University.
I am also a developer for the ELectronic Structure Infrastructure (ELSI, website), a community effort of developers from various codes, national laboratories, and HPC resources to create an open-source library providing a unified, code-independent API for the Kohn-Sham solvers necessary for large-scale KS-DFT.
My doctoral work was in the group of Prof. Michael Widom (group website) at Carnegie Mellon University, where I modeled phase stability for high-entropy alloys and boron carbide using free energy models derived from datasets of first-principles calculations.