Tuesday, May 16, 2017 - 4:50pm - 5:30pm
Boris Yakobson (Rice University)
Comprehensive tools of materials modeling are derived from the principles of physics and chemistry, empowered by high performance computing. Together, this allows one to make verifiable predictions of novel physical structures with specific, often useful or even extraordinary, properties. Examples from our work will be presented, first being growth and unusual morphology of graphene and of binary compositions like metal dichalcogenides MX2 [1], where a combination of DFT and phase-field simulations proves useful.
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