S13- Agile Design of Electronic Materials: Aligned Computational and Experimental Approaches and Materials Informatics

Given the pressing requirements for new high-performance electronic and other functional 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 an efficient exploration of materials property landscape, with the potential to mitigate cost, risk, and operation time for taking materials from research to manufacturing. In addition, 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 cutting-edge methods within a broad range of materials modeling, experiments, and materials informatics-driven efforts, aimed primarily at electronic materials, which may benefit from methodological developments for other applications as well.

Proposed session topics

• Materials by design: emerging computational/experimental strategies for searching, designing, and discovering new electronic materials
• High-throughput computational/experimental screening, data mining, machine learning, and materials informatics
• Multiscale modeling (e.g., first principles, force fields, phase field, statistical mechanics) and computational tools for energy storage and conversion
• Novel phenomena at interfaces and heterostructures: synthesis, characterization, and modeling of interface-driven functional materials
• Predictive modeling, experimental synthesis, and characterization of novel electronic materials:
  • Topological quantum materials (such as topological insulators, topological semimetals, and quantum magnets)
  • Functional (hybrid) perovskite materials
  • Stoichiometry control and polymorphic expressions in functional electroceramics
  • 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, USA,  myoon@ornl.gov
• Sergey Levchenko, Skolkovo Institute of Science and Technology, Russia, s.levchenko@skoltech.ru
• Payam Kaghazchi, Forschungszentrum Jülich GmbH, Germany, p.kaghazchi@fz-juelich.de
• Harald Oberhofer, Technische Universität München, Germany, harald.oberhofer@ch.tum.de
• Ghanshyam Pilania, Los Alamos National Laboratory, USA, gpilania@lanl.gov