Symposium AA

Modeling and Simulation of Material System in All Aspects: From Theory to Application

This symposium aims to promote international exchange of new knowledge and development in all aspects of computational modeling and simulation of advanced materials and their engineering application, especially featuring the most advanced modeling and numerical methodology developments. It includes all classes of materials (such as metals, polymers, ceramics, composites, biomaterials, nanomaterials, etc.) and their structures (functional solids, soft matter, multiphase materials, coatings, etc.). Of specific interest are the underlying physics and chemistry governing the functional elements of the materials, and these functions include (but are not limited to) structural, thermal, chemical, magnetic, or their interdisciplinary combination. Although the analytical and numerical analyses of these functional elements of materials constitute the main highlights of this symposium, important computational studies of others aspects will also be welcome, such as imperfections in materials and their resulting limitations, novel processes for advanced materials synthesis, engineering of material properties, environmental consideration in material performance, etc.

The topics include, but are not limited to:

Methodology Development

  • Ab Initio
  • Artificial Intelligence
  • Continuum Modeling
  • Device-Level Simulation
  • Digital Materials Design
  • Empirical Molecular Dynamics
  • Multiphase Modeling Multiphysics Modeling
  • Multiscale Modeling
  • Semi-Empirical

Modeling of Novel Material Systems

  • Biomaterials & Medical Devices
  • Catalytic Materials
  • Composite Materials and Layered Structures
  • Electrochemical Materials
  • Green Materials
  • Ionic Liquids
  • Mechanobiology
  • Magnetic Materials
  • Metamaterials
  • Polymeric Systems
  • Morphing Structures, Soft/Flexible Materials

Modeling of Novel Nanomaterials

  • 0D, 1D and 2D Nanomaterials
  • Inorganic Macromolecules
  • Nanocomposites
  • Nanocrystalline, Nanophase, Nanostructured Materials
  • Nanorods, Nanoplatelets, Nanotubes, Nanofibrils, Quantum Wires
  • Nanofilms, Nanoholes

Materials Genome Engineering

  • Materials high-throughput computation and design
  • Efficient evaluation of material service and failure behavior
  • Materials database and big data technology
  • Application of materials genome engineering


Hua Li
Nanyang Technological University, Singapore

Fangsen Cui
Institute of High Performance Computing, A*STAR, Singapore


Zishun Liu
Xi’an Jiaotong University

Nimal Rajapakse
Simon Fraser University, Canada &
Sri Lanka Institute of Information Technology, Sri Lanka

Kek Boon Goh
Monash University, Malaysia


Hua Li
Nanyang Technological University, Singapore

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