Sam Smith

Research, Blog, CV

Plotting Molecular Orbital Energy Diagrams

MOplots_MOproblems is a simple python script to plot and annotate molecular orbital energy diagrams from a csv file.

June 29, 2023

Fourier Image Processing

A simple GUI-based app for applying masks to image data in the Fourier space.

May 2, 2023

Speeding up Ligand Tuning

Computationally Guided HTE Synthesis of Fe(II) Polypyridine Molecules with MLCT Electronic Structure.

October 13, 2021

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