Citations¶
When you publish results in the scientific literature that were obtained using Zacros through the pyZacros library, please include the following citations in your work:
Stamatakis, M. and D. G. Vlachos, A Graph-Theoretical Kinetic Monte Carlo Framework for on-Lattice Chemical Kinetics., The Journal of Chemical Physics, 134(21): 214115.
Nielsen, J., M. d’Avezac, J. Hetherington and M. Stamatakis (2013). Parallel Kinetic Monte Carlo Simulation Framework Incorporating Accurate Models of Adsorbate Lateral Interactions. The Journal of Chemical Physics, 139(22): 224706.
Ravipati, S., Nielsen, J., d’Avezac, M., Hetherington, J. and M. Stamatakis (2020). A Caching Scheme to Accelerate Kinetic Monte Carlo Simulations of Catalytic Reactions. The Journal of Physical Chemistry A, 124(35): 7140-7154. [please cite if you are using the caching scheme]
Savva, G. D. and M. Stamatakis (2020). Comparison of Queueing Data-Structures for Kinetic Monte Carlo Simulations of Heterogeneous Catalysts. The Journal of Physical Chemistry A, 124(38): 7843-7856. [please cite if you are using the skip-list or the pairing heap queueing system]
Ravipati, S., Savva, G. D., Christidi, I.-A., Guichard, R., Nielsen, J., Réocreux, R., and Stamatakis, M. (2022). Coupling the Time-Warp algorithm with the Graph-Theoretical Kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts. Computer Physics Communications, 270: 108148 [please cite if you are using the MPI Time-Warp algorithm implementation]