ASE/GPAW

Developed neural network methods and thermodynamic models to optimize the synthesis of 2D quantum materials, reducing computational predictions and experimental discovery time....

Constructed automated DFT software for material categorization and value convergence, shortening computation times by up to 99%....

Created a bash-script that automates the installation of GPAW on ARM-based Apple Computers. The script installs GPAW in a Conda environment and installs all necessary dependencies. This was done befor...

Created a Blender3D plugin that visualizes electron cloud densities for atoms and molecules. The plugin reads .CUBE files and converts them into OpenVDB files for visualization in Blender3D....