S14 – Agile Design of Electronic 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,
• High-throughput computational/experimental screening, data mining, machine learning, and materials informatics
• Multiscale modeling (first principles, force fields, phase field, etc.) and computational tools for energy storage and conversion
• Novel phenomena at interfaces and heterostructures: interface driven functional materials (such as novel quantum materials and perovskites) and experimental synthesis challenges and modeling
• 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
• Aloysius Soon, Yonsei University, South Korea, aloysius.soon@yonsei.ac.kr
• Sergey Levchenko, Skolkovo Institute of Science and Technology, Russia, s.levchenko@skoltech.ru
• Payam Kaghazchi, Institut für Energie und Klimaforschung (IEK-1), Forschungszentrum Jülich GmbH, Germany, p.kaghazchi@fz-juelich.de​