Computational Materials Science

Computational materials science includes computational instruments for taking care of materials related issues. There exist distinctive numerical models for researching issues at various length and time scales which help in understanding advancement of material structures and how these structures viably control material properties. With this understanding we can choose materials for particular applications and furthermore configuration propelled materials for new applications. Computational materials science expects to improve the correspondence between test materials explore and computational work on both existing and new, propelled materials and their applications.

  • Design of materials
  • Multiscale material
  • Density functional theory (DFT)
  • Characterization and utilization of materials

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