Group Codes

The group is involved in the HOOMD-blue effort to develop codes that can effectively use GPUs for large-scale molecular dynamics simulations. We have recently added functionality to HOOMD-blue related to efficient neighbor lists and multiparticle collision dynamics, in addition to earlier work on PPPM.
 

Disclaimer: Codes below are provided "as is" - no representation is made that they are correct, or suitable for any particular purpose.
 

Polymer χ parameter tool

This web-based computational tool implements the method for obtaining Flory-Huggins χ parameters described in A. Chremos, A. Nikoubashman, and A. Z. Panagiotopoulos  J. Chem. Phys. 140: 054909, 10 pp (2014). 
 

Legacy programs

These are old "legacy" codes that are not being maintained.

Computational Methodologies and Potentials for Phase Equilibria - J. Errington, J. Potoff et al.

Gibbs - simple binary LJ fluids (AZP)

Simple Random Number Generator (AZP)