The kMCpy paper has been published in Computational Materials Science!

In this paper, we demonstrated the code called kMCpy which is used for computing kinetic properties using the kinetic Monte Carlo (kMC) method. kMCpy is a modulus open-source code developed using Python and its performance has been accelerated by using the Numba package. Currently, the rate constants of the ion migration probabilities are computed using the local cluster expansion model. More details of this paper can be found here.