Computational Materials Science

The goal of Computational Materials Science is to report on results that provide new insights into or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. Computational methods play a central role in materials science and chemistry. All aspects of modern materials modeling are of interest, including quantum chemical methods, density functional theory (DFT), semi-empirical and classical approaches, statistical mechanics, atomic-scale simulations, mesoscale modeling, and phase-field techniques. At present, most of the researchers are engaged in the development and application of methods to compute the atomic and electronic structure of materials. Recent applications include materials for electronic applications, nano-electromechanics, and energy.
This field will only become more pervasive as computer power advances in the decades ahead.
  • Computational Material Science
  • Material Theory
  • Complex System Theory
  • Complex material architecture
  • Molecular Dynamics
  • Computational Material Science
  • Material Theory
  • Complex System Theory
  • Complex material architecture
  • Molecular Dynamics

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