PAPRECA: A parallel hybrid off-lattice kinetic Monte Carlo/molecular dynamics simulator

C++ C Submitted 12 April 2024 • Published 13 June 2024
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Authors

Stavros Ntioudis (0009-0000-8095-1727), James P. Ewen (0000-0001-5110-6970), Daniele Dini (0000-0002-5518-499X), C. Heath Turner (0000-0002-5707-9480)

Citation

Ntioudis et al., (2024). PAPRECA: A parallel hybrid off-lattice kinetic Monte Carlo/molecular dynamics simulator. Journal of Open Source Software, 9(98), 6714, https://doi.org/10.21105/joss.06714

@article{Ntioudis2024, doi = {10.21105/joss.06714}, url = {https://doi.org/10.21105/joss.06714}, year = {2024}, publisher = {The Open Journal}, volume = {9}, number = {98}, pages = {6714}, author = {Stavros Ntioudis and James P. Ewen and Daniele Dini and C. Heath Turner}, title = {PAPRECA: A parallel hybrid off-lattice kinetic Monte Carlo/molecular dynamics simulator}, journal = {Journal of Open Source Software} }
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Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) Message Passing Interface (MPI) Computational Materials Science Off-lattice kinetic Monte Carlo Molecular Dynamics

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