Welcome, please login:
[Login]   |  [Join]  |  [Renew]   |   [Contact Us]

SYMPOSIUM 4: Computational Design of Electronic Materials



Given pressing requirements for new high-performance electronic materials to meet important application needs, computational methods are required to understand unusual phenomena and to design new classes of materials. Computationally exploring the properties of novel materials has the potential to mitigate costs, risks, and time involved in preparation and testing of potentially useful materials, and 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 current state-of-the-art (and future outlook) within various types of materials modeling and incorporated experiments and materials informatics efforts, aimed primarily at electronic ceramic materials.


Proposed Sessions

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




Mina Yoon, Oak Ridge National Laboratory, myoon@ornl.gov

Ghanshyam Pilania, Los Alamos National Laboratory, gpilania@lanl.gov

Chul Hong Park, Pusan National University, Korea, cpark@pusan.ac.kr

Emmanouil Kioupakis, University of Michigan, kioup@umich.edu

Lan Li, Boise State University, lanli@boisestate.edu



Back to Top ↑