@Comment { \documentclass{article} \usepackage{url} \begin{document} This Simulator Model originally published in \cite{OpenKIM-SM:039297821658:000a, OpenKIM-SM:039297821658:000b, OpenKIM-SM:039297821658:000c, OpenKIM-SM:039297821658:000d} is archived in the OpenKIM repository \cite{tadmor:elliott:2011, elliott:tadmor:2011} at \cite{OpenKIM-SM:039297821658:000}. \bibliographystyle{vancouver} \bibliography{kimcite-SM_039297821658_000.bib} \end{document} } @Misc{OpenKIM-SM:039297821658:000, author = {Hendrik Heinz and Fateme S. Emami and Tzu-Jen Lin and Ratan K. Mishra}, title = {{LAMMPS} {PCFF} bonded force-field combined with {IFF} non-bonded 9-6 {L}ennard-{J}ones potentials for metal interactions v000}, doi = {10.25950/9bb85c6e}, howpublished = {OpenKIM, \url{https://doi.org/10.25950/9bb85c6e}}, keywords = {OpenKIM, Simulator Model, SM_039297821658_000}, publisher = {OpenKIM}, year = 2019, } @Article{tadmor:elliott:2011, author = {E. B. Tadmor and R. S. Elliott and J. P. Sethna and R. E. Miller and C. A. Becker}, title = {The potential of atomistic simulations and the {K}nowledgebase of {I}nteratomic {M}odels}, journal = {{JOM}}, year = {2011}, volume = {63}, number = {7}, pages = {17}, doi = {10.1007/s11837-011-0102-6}, } @Misc{elliott:tadmor:2011, author = {Ryan S. Elliott and Ellad B. Tadmor}, title = {{K}nowledgebase of {I}nteratomic {M}odels ({KIM}) Application Programming Interface ({API})}, howpublished = {\url{https://openkim.org/kim-api}}, publisher = {OpenKIM}, year = 2011, doi = {10.25950/ff8f563a}, } @Article{OpenKIM-SM:039297821658:000a, author = {Hill, Joerg-R. and Sauer, Joachim}, doi = {10.1021/j100023a036}, journal = {The Journal of Physical Chemistry}, month = {jun}, number = {23}, pages = {9536--9550}, publisher = {American Chemical Society ({ACS})}, title = {Molecular Mechanics Potential for Silica and Zeolite Catalysts Based on ab Initio Calculations. 2. Aluminosilicates}, url = {https://doi.org/10.1021/j100023a036}, volume = {99}, year = {1995}, } @Article{OpenKIM-SM:039297821658:000b, author = {Heinz, Hendrik and Vaia, R. A. and Farmer, B. L. and Naik, R. R.}, doi = {10.1021/jp801931d}, journal = {The Journal of Physical Chemistry C}, month = {oct}, number = {44}, pages = {17281--17290}, publisher = {American Chemical Society ({ACS})}, title = {Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12-6 and 9-6 Lennard-Jones Potentials}, url = {https://doi.org/10.1021/jp801931d}, volume = {112}, year = {2008}, } @Article{OpenKIM-SM:039297821658:000c, author = {Liu, Juan and Tennessen, Emrys and Miao, Jianwei and Huang, Yu and Rondinelli, James M. and Heinz, Hendrik}, doi = {10.1021/acs.jpcc.8b01891}, journal = {The Journal of Physical Chemistry C}, month = {may}, number = {26}, pages = {14996--15009}, publisher = {American Chemical Society ({ACS})}, title = {Understanding Chemical Bonding in Alloys and the Representation in Atomistic Simulations}, url = {https://doi.org/10.1021/acs.jpcc.8b01891}, volume = {122}, year = {2018}, } @Article{OpenKIM-SM:039297821658:000d, author = {Heinz, Hendrik and Lin, Tzu-Jen and Kishore Mishra, Ratan and Emami, Fateme S.}, doi = {10.1021/la3038846}, eprint = { https://doi.org/10.1021/la3038846}, journal = {Langmuir}, note = {PMID: 23276161}, number = {6}, pages = {1754-1765}, title = {Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field}, url = { https://doi.org/10.1021/la3038846}, volume = {29}, year = {2013}, }