Research Update: Towards designed functionalities in oxide-based electronic materials

James M. Rondinelli, Kenneth R. Poeppelmeier, Alex Zunger

Research output: Contribution to journalArticle

22 Citations (Scopus)


One of the grand challenges facing materials-by-design approaches for complex oxide deployment in electronic devices is how to balance transformative first-principles based predictions with experimental feasibility. Here, we briefly review the functionality-driven approach (inverse design) for materials discovery, encapsulated in three modalities for materials discovery (m3D) that integrate experimental feedback. We compare it to both traditional theoretical and high-throughput database-directed approaches aimed at advancing oxide-based materials into technologies.

Original languageEnglish
Article number080702
JournalAPL Materials
Issue number8
Publication statusPublished - Aug 1 2015

ASJC Scopus subject areas

  • Materials Science(all)
  • Engineering(all)

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