This directory contains all of the code, Python 3 scripts, and simulation data necessary for reproducing the following reference:
Krist, K.T. and Noid, W.G. "Relating the artificial chemotaxis of catalysts to a gradient descent of the free energy." J. Chem. Phys. 2023, 158, 214113.

=>	'sourceCode' directory contains software written in Fortran 90, as well as instructions for compiling and running the code in an HPC environment.
	 A sample run.sh script and input files are also provided.
=>	'simulationData' directory contains all data necessary for generating the figures presented in the paper and in Ch. 3 of KT Krist's PhD thesis.
=>	'figures' directory contains the python scripts used to generate each figure, as well as the corresponding .eps and .png files


This work was performed by Dr. Kathleen Krist (kathleen.krist@northwestern.edu) and Prof. W. G. Noid (wgn1@psu.edu).