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Interplay of large materials databases, semi-empirical methods, neuro-computing and first principle calculations for ternary compound former/nonformer prediction

机译：大型材料数据库，半经验方法，神经计算和三元复合成因/非成因预测的第一原理计算之间的相互作用

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P. Villars; K. Brandenburg; M. Berndt; S. LeClair; A. Jackson; Y.-H. Pao; B. Igelnik; M. Oxley; B. Bakshi; P. Chen; S. Iwata;
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机译：fcc Mg的自扩散系数：第一性原理计算和半经验预测
2. Predictions of the structures and properties of the substituted layered ternary compound series (Zr1-xTx)(3)Al3C5 (T = Hf, Nb, and V) through first-principles studies [J] . Tian Hui, Luo Kan, Lang Jiajian, Journal of Physics. Condensed Matter . 2019,第38期

机译：通过第一原理研究预测取代的分层三元化合物系列（ZR1-XTX）（3）Al3C5（T = HF，NB和V）的结构和性质
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4. Interplay between large materials databases, semi-empirical approaches, neuro-computing and first principle calculations [C] . Villars, P., LeClair, Intelligent Processing and Manufacturing of Materials, 1999. IPMM '99. Proceedings of the Second International Conference on . 1999

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5. Density functional studies: First principles and semi-empirical calculations of clusters and surfaces. [D] . Sinnott, Susan Buthaina. 1993

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Interplay of large materials databases, semi-empirical methods, neuro-computing and first principle calculations for ternary compound former/nonformer prediction

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