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S4. Agile design of electronic materials: Aligned computational and experimental approaches

Computational and experimental approaches are required to understand unusual phenomena and to design new classes of materials, because of the pressing requirements for new high-performance electronic materials to meet important application needs. 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 brings together materials scientists and engineers to discuss the current state-of-the-art (and future outlook) methods within various types of materials modeling, experiments, and materials informatics-driven efforts, aimed primarily at electronic materials.


Proposed session topics

  • Materials by design: computational/experimental emerging strategies for searching, designing, and discovering new electronic materials
  • High-throughput data generation and screening via first principles  and other computations and experimental approaches
  • Novel phenomena at interfaces and heterostructures: interface driven functional materials and synthesis challenges
  • Theoretical challenges and development to accurate description of  defects and interface properties
  • Low-dimensional systems (quantum dots, nanowires, graphene, and  related systems)
  • Electronic and/or thermal transport in electronic materials and low-dimensional structures
  • Modeling at various (and across) scales (first principles, force fields,  phase field, etc.) and computational tool and method development


Symposium organizers

  • Mina Yoon, Oak Ridge National Laboratory, USA; myoon@ornl.gov
  • Venkatesh Botu, Corning Incorporated, USA
  • Lan Li, Boise State University, USA
  • Scott Retterer, Oak Ridge National Laboratory, USA

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