Computational Materials Science

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For solving materials related problems in Computational materials science involves computational tools which consist of different mathematical logics for investigating problems at multiple length and time, which help in understanding evolution of material structures and how these structures effectively can control the properties material. Generation of electronic structure and finite systems methods comes under computational materials science. Molecular dynamics a computer simulation method is used to study the physical moments of atoms and molecules.

 

  • Programmable materials
  • Material properties database
  • Monte Carlo techniques
  • Multiresolution analysis
  • Quantum materials
  • High-dimensional computation

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