most citedMachine learning with systematic density-functional theory calculations: Application to melting temperatures of single and binary component solids

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cond-mat.mtrl-sci2013★ 317 cited

Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single and binary component solids

Atsuto Seko, Tomoya Maekawa, Koji Tsuda +1

A combination of systematic density functional theory (DFT) calculations and machine learning techniques has a wide range of potential applications. This study presents an applicat…