Browsing Atomistic Simulations by Author "zachary.trautt@nist.gov"
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Facilitating the selection and creation of accurate interatomic potentials with robust tools and characterization
Trautt, Zachary; Becker, Chandler; Tavazza, Francesca (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 ...