Insilico nanostructure modelling

Nanostructure modeling is the computation of the positions and orbitals of atoms in arbitrary nanostructures. We have parallelized the nanostructure modeling code.Accurate atomic-scale quantum theory of nanostructures and nanosystems fabricated from nanostructures enables precision metrology of these nanosystems and provides the predictive, precision modeling tools needed for engineering these systems for applications including advanced semiconductor lasers and detectors, single photon sources and detectors, biosensors.

  • ADF Modelling
  • AMBER
  • Semi emperical method
  • Conformational Analysis
  • Free energy perturbation
  • Gromacs

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