Crystal Structure Representation for Neural Networks using Topological Approach
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DOI: 10.1002/minf.201600162
Abstract: In the present work we describe a new approach, which uses topology of crystals for physicochemical properties prediction using artificial neural networks (ANN). The topologies of 268 crystal structures were determined using ToposPro software. Quotient… read more here.
Keywords: crystal structure; neural networks; structure representation; approach ... See more keywords