Simulation is a powerful technique that can help to understand and model real systems or potential situations.  With simulation, one can examine a problem that is often not subject to direct experimentation.

SIMUNE offers computer simulation services to companies developing cutting edge technology based on the properties of the materials at the atomic scale. We are experts identifying the best solution to solve materials-related challenges. These are some examples of application areas:  

 

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  • Ferroelectricity
  • Piezoelectricity
  • Ferromagnetism
  • Multiferroicity
  • Functional domain walls in ferroic materials
  • Thermoelectricity
  • Electroresistance and magnetoresistance in tunnel junctions

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  • Electronic stopping power
  • Nuclear stopping power
  • Radiation damage (Classical Molecular Dynamics)

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  • Schottky barriers
  • Leakage current
  • Properties of novel high/low-k dielectrics
  • Activation energies of defect diffusion
  • Formation energies of defect states in semiconductors, nanowires, or nanotubes

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  • Electronic and Magnetic properties (Band structure, Density of states, magnetic momentum,…)
  • Properties of defects (Activation energies of defect diffusion, formation energies,...)
  • Vibrational properties

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  • Electromagnetic field propagation and energy
  • Diffraction limit
  • Optical phenomena
  • Metamaterials

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  • Electronic structures
  • Reaction mechanisms
  • Kinetics
  • Thermal stability