HIGHLIGHTS
- who: Milica Todorović from the (UNIVERSITY) have published the research work: Bayesian inference of atomistic structure in functional materials, in the Journal: (JOURNAL) of 15/06/2018
- what: Published in partnership with the Shanghai Institute of Ceramics of the Chinese Academy of Sciences Here, the authors propose an AI-based structure search scheme that is capable of accelerated and unbiased PES computation, and can be extended to large length scales while minimising the amount of configurational sampling. While some methods acquire single-adsorption configurations by intuition and focus on complex lattice-based film morphology search . . .
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