Two-Week Online Workshop on QuantumATK

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This online workshop will give comprehensive introduction to QuantumATK, gradually building up from basic concepts to more advanced topics over the course of two weeks.

QuantumATK is a powerful simulation software package widely used by researchers and engineers worldwide for atomistic simulations, electronic structure calculations, and materials design. Whether you’re a student exploring the fundamentals of quantum mechanics or a seasoned researcher pushing the boundaries of materials science, QuantumATK provides the tools and capabilities to accelerate your research and innovation.


  • DFT and TDDFT calculations, work function calculations
  • Transport calculations with QuantumATK
  • Calculate the band structure of a crystal
  • Phonons, Band structure and Thermoelectric
  • Structure Building
  • Carbon Nanotube Junctions
  • MoS2 Nanotubes
  • Polymer Builder
  • Vibrational modes and Vibration Visualizer
  • How to Setup Basic Molecular Dynamics Simulations
  • Spin-orbit splitting of semiconductor band structures
  • Electrical characteristics of devices using the IV Characteristics study object
  • Building an interface between Ag(100) and Au(111)