Constrained crystals deep convolutional generative adversarial network for the inverse design of crystal structures

Abstract Autonomous materials discovery with desired properties is one of the ultimate goals for materials science, and the current studies have been focusing mostly on high-throughput screening based on density functional theory calculations and forward modeling of physical properties using machine...

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Autores principales: Teng Long, Nuno M. Fortunato, Ingo Opahle, Yixuan Zhang, Ilias Samathrakis, Chen Shen, Oliver Gutfleisch, Hongbin Zhang
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2021
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Acceso en línea:https://doaj.org/article/6d1f4eebd57e4377b41f8f324c970e86
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