Andrew W. McGuan

Summer Intern at Materials Research Lab
University of California Santa Barbara CA 93106

About me:

I have completed my first year toward my undergraduate degree in computer engineering at Cal Poly, SLO. At the MRL, I have engaged in writing scripts to make research work more efficient. Currently, I am involved in the datamining and informatics of identifying potential photovoltaic absorbers.

Education

Computer Engineering Undergraduate, California Polytechnic State University, San Luis Obispo

Codes:

Windows users are able to download the .exe version and run them without the use of the command line
Mac and Linux users must download the .py version
All versions open a GUI when run to allow the user to specify input files

1. Python code written for Dr. Anna Lehner to read band gaps out of the OUTCAR.
   vaspgap.py vaspgap.exe
   Usage: python vaspgap.py yields OUTCAR_bandgap


2. Python code written for Megan Butala to separate the individual battery charge and discharge cycles, and prepare them for graphing. filterCycle.py filterCycle.exe
   Usage: python convertXY.py yields filename_final.XY


3. Python code written for Dr. Anna Lehner takes as input .cif files generated by Platon and represents the PXRD pattern with Grace.
   platmgr.py platxmgr.exe
   Usage: python platmgr.py yields filename.thx


4. Python code written for Greg Su, to find the intensity levels with x-ray absorption spectroscopy, at different angles of incidence.
   average.py average.exe
   average.py intensity.exe
   Usage: python average.py yields output.xas, followed by python intensity.py


5. Python code written for Mandi Buffon and Ram Seshadri, to plot a ternary diagram from the given input file, with some user customization options.
   convert_ternary.py
   Usage: python convert_ternary.py yields <input_filename>.png
   
   Supplementary Materials:
   README.txt example.csv example.png

*all python scripts are compatible with versions of python 2.X and 3.X

Links:

Ram Seshadri: website

Contact: