Created acetaldehyde molecule using TURBOMOLE to build the geometry, then ran a 10-step simulation with FROG, which I visualized in VMD. This molecule will be important for the continual learning model we're developing with FROG and should help enhance our simulation accuracy. pic.twitter.com/UctfyliUOM

— Jack Spitzer (@JackDSpitzer) July 10, 2025

Cool simulation I created and ran recently! Used TURBOMOLE to generate optimized molecular geometries, then used FROG software to prepare a short molecular dynamics simulation (about 10 steps). Finally, visualized the trajectory of the HCl molecule in VMD! pic.twitter.com/A7WiGXS2ma

— Jack Spitzer (@JackDSpitzer) July 10, 2025

Cool simulation that I ran a few days ago: The simulation is 10 steps and represents a ubiquitin solvated in water. Ubiquitin is protein primarily used for ubiquitination: acting as as molecular tag, marking proteins for degradation by the proteasome - also used for DNA repair. pic.twitter.com/SF0jkg2689

— Jack Spitzer (@JackDSpitzer) June 13, 2025