Codes and Tutorials

Codes utilized to generate data for peer-reviewed publications from the group are available. Please click on the links to navigate.

Codes for Buchanan et al., Soft Matter (2021).

Python code to generate input scripts for LAMMPS to run a single component triblock copolymer.
Python code to generate input scripts for LAMMPS to run a two-component mixture of ABC-type triblock copolymer with A-type homopolymer.
Postprocessing Python toolbox for voxel computation, end-to-end distance calculation, and structure factor calculation.
Python input parameters for postprocessing.

Codes for Buchanan et al., Macromolecules (2022).

Codes for Grant et al., Journal of Chemical Theory and Computation (2023).

Please navigate to our git repository folder here.