当机器学习与二维材料相遇时:一篇评论
Bin Lu1,2, Yuze Xia1,2, Yuqian Ren1,2
1ARTIST Lab for Artificial Electronic Materials and Technologies, School of Microelectronics, Northwestern Polytechnical University, Xi'an, 710072, P. R. China.
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
|January 27, 2024
概括
机器学习加速了新型二维材料和异构结构的发现. 这种以数据为导向的方法提供了一个更有效和更具成本效益的替代方案,而不是设计时对材料进行传统的实验.
科学领域:
- 材料科学 材料科学 材料科学
- 凝聚物质物理学 凝聚物质物理学
- 计算化学的计算化学
背景情况:
- 二维 (2D) 材料通过其丰富的内部自由度和异构结构设计提供可调节的特性.
- 2D材料研究中的巨大参数空间需要超越传统实验的先进方法.
- 对堆叠序列和结晶学对齐的精确控制是设计新2D异构结构的关键.
研究的目的:
- 审查机器学习 (ML) 在加速2D材料和异构结构的发现和设计中的应用.
- 突出ML作为传统研究方法的成本效益高,高效的替代品的潜力.
- 讨论基于机器学习的二维材料研究当前的进展,挑战和未来的机会.
主要方法:
- 关于机器学习应用在二维材料科学中的最新文献的综述.
- 对探索多维参数空间的数据驱动方法的分析.
- 讨论由人工智能启用的自主实验范式.
主要成果:
- 机器学习提供了一种强大的数据驱动方法,以克服传统实验和计算策略的局限性.
- 机器学习可以有效地探索庞大的数据集,促进功能性二维材料和异构结构的设计.
- 机器学习与自主实验的整合有望加速发现周期.
结论:
- 机器学习代表了材料科学中的范式转变,为2D系统实现了"设计材料".
- 基于机器学习的方法对于应对现代二维材料研究的复杂性和规模至关重要.
- 未来的研究应该专注于进一步开发和整合ML工具,用于自主发现和设计先进的2D材料.
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