The computer-aided simulation of material of device properties has gained permanent importance in almost all industrial areas for several years. For such simulations experimental gained parameters are needed. Whereas the direct calculation of material properties with ab intio methods is new. Using this methods, parameters from experiments are no longer needed.

Our services

consist of computer aided material calculations for determination of structure, electronic and chemo-physical properties.

Our team of experts analyzes your specific problem. In close cooperation with you the detailed project content is defined. At this basis, state of the art simulation tools are applied to  obtain a profound knowledge about your material system at an atomic scale. Finally, our team of physicists, chemists, engineers and software developers provides you with recommendations for your proceeding R&D project.

Common research and development projects have a contract period between three month and several years. However, also request on short notice are gladly processed. The costs depend strongly on the necessary human and computational resources. The application for public grants can reduce these financial expenses by up to 50%.

S_pro … structure properties

  • structure analysis
  • adhesion problems
  • crystallization process
  • elasticity analysis
  • morphology
  • phase diagrams
  • nano structures (quantum dots and wires)

E_pro … electronic properties

  • conductibility
  • dielectric properties
  • defects / contamination
  • density of states / band structure

C_pro … chemo-physical properties

  • coating process
  • dissolubility processes
  • polymere synthesis
  • catalysis

ReaxFF+ … Large scale simulation of complex systems

  • coating process
  • dissolubility processes
  • diffusion processes
  • phase transition
  • combustion reaction