When Machine Learning Meets 2D Materials: A Review

Abstract: The availability of an ever‐expanding portfolio of 2D materials with rich internal degrees of freedom (spin, excitonic, valley, sublattice, and layer pseudospin) together with the unique ability to tailor heterostructures made layer by layer in a precisely chosen stacking sequence and relative crystallographic alignments, offers an unprecedented platform for realizing materials by design. However, the breadth of multi‐dimensional parameter space and massive data sets involved is emblematic of complex, resource‐intensive experimentation, which not only challenges the current state of the art but also renders exhaustive sampling untenable. To this end, machine learning, a very powerful data‐driven approach and subset of artificial intelligence, is a potential game‐changer, enabling a cheaper – yet more efficient – alternative to traditional computational strategies. It is also a new paradigm for autonomous experimentation for accelerated discovery and machine‐assisted design of functional 2D materials and heterostructures. Here, the study reviews the recent progress and challenges of such endeavors, and highlight various emerging opportunities in this frontier research area.

Location
Deutsche Nationalbibliothek Frankfurt am Main
Extent
Online-Ressource
Language
Englisch

Bibliographic citation
When Machine Learning Meets 2D Materials: A Review ; day:26 ; month:01 ; year:2024 ; extent:40
Advanced science ; (26.01.2024) (gesamt 40)

Creator
Lu, Bin
Xia, Yuze
Ren, Yuqian
Xie, Miaomiao
Zhou, Liguo
Vinai, Giovanni
Morton, Simon A.
Wee, Andrew T. S.
van der Wiel, Wilfred G.
Zhang, Wen
Wong, Ping Kwan Johnny

DOI
10.1002/advs.202305277
URN
urn:nbn:de:101:1-2024012714020507113252
Rights
Open Access; Der Zugriff auf das Objekt ist unbeschränkt möglich.
Last update
15.08.2025, 7:36 AM CEST

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Associated

  • Lu, Bin
  • Xia, Yuze
  • Ren, Yuqian
  • Xie, Miaomiao
  • Zhou, Liguo
  • Vinai, Giovanni
  • Morton, Simon A.
  • Wee, Andrew T. S.
  • van der Wiel, Wilfred G.
  • Zhang, Wen
  • Wong, Ping Kwan Johnny

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