physics + cs @ Grinnell College. computational catalyst discovery & design w/ Montemore group @ Tulane, simulating nonlinear & chaotic systems for fun
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mlip-dft-relaxed-comparison
mlip-dft-relaxed-comparison PublicComparing MLIP relaxation and pre-relaxed DFT config energies across YPdCu catalyst structures.
Jupyter Notebook
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mlip-dft-singlepoint-eval
mlip-dft-singlepoint-eval PublicMLIP benchmarking pipeline for comparing MLIP model single-point predictions against DFT adsorption energies across varying external magnetic field strengths.
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mech-final
mech-final PublicMy final research project for my Classical Mechanics class comparing chaotic systems.
Jupyter Notebook
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