Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations
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چکیده
منابع مشابه
Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations
Caption: This figure compares the performance of three machine learning techniques that predict the properties of a material given its crystal structure: the Coulomb Matrix (CM), Partial Radial Distribution Function (PRDF), and the Voronoi-based ML method described in this report. Each model was trained using same set of 30000 entries from the OQMD, and the above plots show the performance of t...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2017
ISSN: 2469-9950,2469-9969
DOI: 10.1103/physrevb.96.024104