CMU_Spotte-Smith

My research (https://CoReACTER.org) broadly involves computational and data science studies of complex reactive systems. In the short-term, I intend to use the OSPool to generate training data for machine learned interatomic potentials (specifically, performing high-throughput DFT calculations of materials interfaces) and to perform high-throughput molecular dynamics simulations of solid-state reactivity. These efforts relate to a current project funded by Toyota Research Institute through their Synthesis Advanced Research Challenge.

Cumulative usage · Jul 2, 2025 – Jul 2, 2026