This is the first project I was assigned to as a research assitant. The task at hand was to be able to create renderings of molecular orbitals from calculations generated by the Chronus Quantum (CQ) software package. CQ is a computational chemistry package capable of creating simulations for quantum interactions, and an aspect of the package that was missing was visualization for that data, especially visualization of molecular orbitals, which is important and useful information for the chemistry community. Thus, I created a method that extracted data from calculations, and reformatted the data into files readable by many well-known scientific visualization packages. With this method, I was able to generate molecular orbital graphs, (pictured to the left) The source code is currently private, as it is being developed concurrently with CQ, but please inquire if you are interested in learning more about the algorithms I applied for an efficient data transfer.

This project was also done for CQ, and it has a similar goal as the MO Visualizer, to create visualizations of quantum interactions, but this time, it can generate videos that show the electron density difference within a chemical system through time. As this project requires different softwares to work harmonically, I implemented user interface features to make the workflow process more cohesive, and to make the process of creating movies much simpler. To the left, is a frame from one of the videos generated by my project from a calculation in CQ. Like my other project, the source code is also still private, so please inquire if any questions arise.