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Facilitating the selection and creation of accurate interatomic potentials with robust tools and characterization
(2014-12-08)
The Materials Genome Initiative seeks to significantly decrease the cost and time of development of new materials. Within the domain of atomistic simulations, several roadblocks stand in the way of reaching this goal. While ...
A Modified Embedded Atom Method Potential for the Titanium-Oxygen System
(2014-07-15)
These data files correspond to our publication listed above. The files included here are:
1) LAMMPS and VASP input files describing the structures specified in the article.
2) LAMMPS and VASP output files describing the ...