Sub-lattice paper published in Adv. Theory Simul.

17 Aug 2020

Sai Gautam's paper on generating sub-lattice models entirely using 0 K density functional theory calculations, which can be used to predict off-stoichiometry in materials, was published today in Advanced Theory and Simulations. The work was done in collaboration with Dr. Ellen B. Stechel (Arizona State University) and Prof. Emily A. Carter (University of California Los Angeles).


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