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T4S1: Computational Design and Modeling

Register for 11th CMCEE


Ceramic technologies for sustainable development


Recent progress in computational materials science has significantly enhanced the efficiency with which the understanding of fundamental phenomena, the improvement of materials performance, the discovery of new materials, and the design of structural and functional components can be achieved. This symposium will focus on the design and modeling of ceramics and composites to further optimize their behavior and facilitate the design of new ceramics and composites with tailored properties. A broader perspective is desired that includes interests related to the ceramic genome, design for new innovative ceramics and components, integrated computational engineering, prediction of the structure and properties of crystals and defects, modeling materials behavior under extreme/harsh environments, application of novel simulation methods for materials processing and performance, and simulation of ceramics for energy and environmental applications. 


Proposed session topics:

  • Ceramic genome
  • Computational engineering of integrated materials
  • Multiscale modeling approaches
  • Modeling and design of ceramics for energy and environmental applications
  • Modeling materials behavior under extreme/harsh environments (ultrahigh temperature, radiation, environmental damages and severe load and stresses)
  • Prediction of the crystal structure and properties of new ceramics
  • Modeling defects and amorphous matter 


  • Jingyang Wang, Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, China
  • Wai-Yim Ching, University of Missouri-Kansas City, USA
  • Kwang-Ryeol Lee, Korea Institute of Science and Technology, Korea
  • Isao Tanaka, Kyoto University, Japan
  • Hans J. Seifert, University of Karlsruhe, Germany
  • Sean Smith, University of New South Wales, Australia
  • Gerard L. Vignoles, University of Bordeaux, France
  • William J. Weber, University of Tennessee, USA 


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