Symposium Q
Computational Materials Design at All Scales: From Theory to Application

Symposium Topics

Design and Modeling of Novel Material Systems

  • electronic materials
  • magnetic materials
  • photonic materials
  • electrochemical materials
  • catalytic materials
  • ionic liquids
  • biomaterials
  • plymetic systems
  • green materials

Design and Modeling of Novel Nanomaterials

  • quantum dots, nanodots, inorganic macromolecules
  • nanocrystalline, nanophase, nanostructured materials
  • nanorods, nanoplatelets, nanotubes, nanofibrils, quantum wires
  • nanofilms, nanoholes
  • nanocomposites

Modeling Techniques and Applications

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