Review on automated 2D material design

被引:5
作者
Al-Maeeni, Abdalaziz [1 ]
Lazarev, Mikhail [1 ]
Kazeev, Nikita [3 ]
Novoselov, Kostya S. [3 ]
Ustyuzhanin, Andrey [2 ,3 ]
机构
[1] HSE Univ, Myasnitskaya Ulitsa 20, Moscow 101000, Russia
[2] Constructor Univ, D-28759 Bremen, Germany
[3] Natl Univ Singapore, Inst Funct Intelligent Mat, 4 Sci Dr 2, Singapore 117544, Singapore
关键词
deep learning; material science; 2D materials; materials generation; inverse design; INVERSE PROBLEMS; STRUCTURE PREDICTION; NEURAL-NETWORKS; CRYSTAL; OPTIMIZATION; ALGORITHM; REPRESENTATION; FIELD; FERROMAGNETISM; EXFOLIATION;
D O I
10.1088/2053-1583/ad4661
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
Deep learning (DL) methodologies have led to significant advancements in various domains, facilitating intricate data analysis and enhancing predictive accuracy and data generation quality through complex algorithms. In materials science, the extensive computational demands associated with high-throughput screening techniques such as density functional theory, coupled with limitations in laboratory production, present substantial challenges for material research. DL techniques are poised to alleviate these challenges by reducing the computational costs of simulating material properties and by generating novel materials with desired attributes. This comprehensive review document explores the current state of DL applications in materials design, with a particular emphasis on two-dimensional materials. The article encompasses an in-depth exploration of data-driven approaches in both forward and inverse design within the realm of materials science.
引用
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页数:25
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