Computational Materials

Recent developments in computational methodologies offer truly remarkable insight into materials behaviors, particularly at the nanoscale. Materials chemistry and Sciences significance range from the theoretical forecast of the electronic and structural properties of materials to chemical kinetics and equilibria in a materials processing operation. With this understanding, we can choose materials for targeted purpose and also design advanced materials for new applications.

  • Continuum scale modelling and simulation
  • Computer assisted materials synthesis
  • Spin dynamics and spin-electronics
  • Plasmonics
  • Thin-film nanocomposites

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