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S13 – From Basic Science to Agile Design of Functional Materials: Aligned Computational and Experimental Approaches and Materials Informatics


Given the pressing requirements for new high-performance electronic materials to meet important application needs, both computational and experimental approaches are required to understand unusual phenomena and to design new classes of materials. The collaborative effort between the two disciplines allows for exploring novel material properties quickly, with the potential to mitigate the cost, risk, and operation time, for taking materials from research to manufacturing. Further, it could yield valuable insights into the fundamental factors underlying materials behavior. This symposium will bring together materials scientists and engineers from academia, industry, and national laboratories to discuss the current state-of-the-art (and future outlook) methods within a broad range of materials modeling, experiments, and materials informatics-driven efforts, aimed primarily at electronic materials.


Proposed Sessions:

  • Materials by design: computational/experimental emerging strategies for searching, designing, and discovering new electronic materials
  • High-throughput computational/experimental screening, data mining, and machine learning, and materials informatics
  • Novel phenomena at interfaces and heterostructures: interface driven functional materials (such as novel quantum materials and perovskites) and experimental synthesis challenges and modeling
  • Multiscale modeling (first principles, force fields, phase field, etc.) and computational tool for energy storage and conversion
  • Novel quantum materials (such as topological insulators, Weyl semimetals, quantum anomalous Hall insulators, and quantum magnets)
  • Functional (hybrid) perovskite materials for various applications, solar cells, and optical devices.
  • Low-dimensional electronic materials (quantum dots, nanowires, 2D materials, and related systems)


Symposium Organizers 

  • Mina Yoon, Center for Nanophase Materials Science, Oak Ridge National Laboratory, Oak Ridge, TN USA, ¬†myoon@ornl.gov
  • Lan Li, Boise State University, Boise, ID USA, lanli@boisestate.edu
  • Peilin Liao, Purdue University, West Lafayette, Indiana, USA,¬†lpl@purdue.edu


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