QuantumWise

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    • Atomic-scale simulation software for nanoscience
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    • Graphene studies with ATK
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    • Nanotube studies in ATK
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  • Tutorials
    • Mini-tutorials
      • Why are so many k-points needed in the transport direction in a device calculation?
      • Opening a band gap in silicene and bilayer graphene with an electric field
      • Calculation of atomic-scale capacitance
      • Rhombohedral and hexagonal settings of trigonal crystals
      • MPI setup for running ATK in parallel on a simple cluster
      • How to make a simple CIF file to define a new crystal structure
      • Reconstruction of the Si (100) surface - a geometry optimization study with ATK
      • Linear response current
      • Transmission spectrum of perfect sheets of graphene and MoS2
      • Restarting stopped calculations
      • Initializing a calculation from another one
      • Computing quantities from converged calculations
      • Semicore pseudopotential for vanadium
      • Effective mass of electrons in silicon
      • Work function
      • Plotting transmission coefficients
      • Reusing electrodes
      • How to set up the electrodes properly in a two-probe system
      • I-V curve and voltage drop
      • Export XYZ, CIF, CAR and VASP files
      • Optimizing the geometry of a two-probe system
      • Transmission spectrum of a spin-polarized atomic chain
      • Import XYZ, CIF, CAR and VASP files
      • Calculate the band structure of a crystal
      • Visualize the LUMO state of a water molecule
    • Builder Tutorials
      • Carbon nanotube junctions
      • Stone-Wales defect in a (9,0) carbon nanotube
      • Capping a carbon nanotube
      • Commensurate supercell for rotated graphene layers
      • MoS2 nanotubes
      • Nanosheet with a hole
      • Graphene-Nickel interface
      • Building a molecular junction: Au-DTB-Au
      • Building a Si-Si3N4 interface
      • More examples
    • Tutorials for ATK 11.8
  • Scientific publications
    • NanoPar publication list
  • QuantumWise News
    • Webinar about ATK
    • Conference and ATK-seminar in Tokyo
    • ATK 12.8.2 bug fix release
    • ATK 12.8.1 bug fix release
    • New hires at QuantumWise Copenhagen
    • New mini-tutorials
    • ATK 12.8 released
    • ATK 12.8 - 2nd release candidate
    • New tutorials
    • QuantumWiseTV on YouTube and YouKu
    • ATK decorates the front page of EPJB
    • Reaching 600 publications with ATK
    • ATK 12.2.2 released
    • ATK 12.2.1 released
    • Nickel-graphene article in PRB
    • ATK 12.2 released
    • VASP interface
    • ATK 11.8.2, minor updates
    • ATK 11.8.1, minor updates
    • ATK 11.8 released
    • Press release: QuantumWise establishes subsidiary in Japan
    • New tutorial on Au-DTB
    • ATK 11.2.3
    • ATK 11.2.2
    • ATK 11.2.1
    • ATK 11.2 released
    • ATK for single-electron transistors
    • Important update: ATK 10.8.2
    • Press release
    • New address
    • Article about ATK-SE
    • New tutorials
    • ATK 10.8 released
    • First beta of ATK 10.8
    • New hire
    • New hire
    • ATK 2010.02 2nd bug fix release
    • ATK 2010.02 bug fix release
    • ATK 2010.02 released
    • ATK Training Workshop 25-26 February 2010
    • ATK 2009.11.1 update
    • Job opening, scientific software developer
    • Presentation at metrology workshop
    • QuantumWise will present at graphene workshop
    • Updated packages ATK 2009.06
    • ATK 2009.06 released
    • ATK 2009.11 released
    • ATK 2010.01 released
    • ATK 2009.12 released
    • ATK 2009.12 updated
    • ATK User Meeting 7-8 September
    • QuantumWise joins project
    • New tutorials
    • New tutorials
    • ATK/VNL 2008.10 released
    • Press release
  • Mini-tutorials
    • Why are so many k-points needed in the transport direction in a device calculation?
    • Opening a band gap in silicene and bilayer graphene with an electric field
    • Calculation of atomic-scale capacitance
    • Rhombohedral and hexagonal settings of trigonal crystals
    • MPI setup for running ATK in parallel on a simple cluster
    • How to make a simple CIF file to define a new crystal structure
    • Reconstruction of the Si (100) surface - a geometry optimization study with ATK
    • Linear response current
    • Transmission spectrum of perfect sheets of graphene and MoS2
    • Restarting stopped calculations
    • Initializing a calculation from another one
    • Computing quantities from converged calculations
    • Semicore pseudopotential for vanadium
    • Effective mass of electrons in silicon
    • Work function
    • Plotting transmission coefficients
    • Reusing electrodes
    • How to set up the electrodes properly in a two-probe system
    • I-V curve and voltage drop
    • Export XYZ, CIF, CAR and VASP files
    • Optimizing the geometry of a two-probe system
    • Transmission spectrum of a spin-polarized atomic chain
    • Import XYZ, CIF, CAR and VASP files
    • Calculate the band structure of a crystal
    • Visualize the LUMO state of a water molecule
  • Builder Tutorials
    • Carbon nanotube junctions
    • Stone-Wales defect in a (9,0) carbon nanotube
    • Capping a carbon nanotube
    • Commensurate supercell for rotated graphene layers
    • MoS2 nanotubes
    • Nanosheet with a hole
    • Graphene-Nickel interface
    • Building a molecular junction: Au-DTB-Au
    • Building a Si-Si3N4 interface
    • More examples
• Contact
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  • Announcement from the CEO
• About us
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  • Contact Information
    • Legal issues
    • Announcement from the CEO
  • QuantumWise News
    • Webinar about ATK
    • Conference and ATK-seminar in Tokyo
    • ATK 12.8.2 bug fix release
    • ATK 12.8.1 bug fix release
    • New hires at QuantumWise Copenhagen
    • New mini-tutorials
    • ATK 12.8 released
    • ATK 12.8 - 2nd release candidate
    • New tutorials
    • QuantumWiseTV on YouTube and YouKu
    • ATK decorates the front page of EPJB
    • Reaching 600 publications with ATK
    • ATK 12.2.2 released
    • ATK 12.2.1 released
    • Nickel-graphene article in PRB
    • ATK 12.2 released
    • VASP interface
    • ATK 11.8.2, minor updates
    • ATK 11.8.1, minor updates
    • ATK 11.8 released
    • Press release: QuantumWise establishes subsidiary in Japan
    • New tutorial on Au-DTB
    • ATK 11.2.3
    • ATK 11.2.2
    • ATK 11.2.1
    • ATK 11.2 released
    • ATK for single-electron transistors
    • Important update: ATK 10.8.2
    • Press release
    • New address
    • Article about ATK-SE
    • New tutorials
    • ATK 10.8 released
    • First beta of ATK 10.8
    • New hire
    • New hire
    • ATK 2010.02 2nd bug fix release
    • ATK 2010.02 bug fix release
    • ATK 2010.02 released
    • ATK Training Workshop 25-26 February 2010
    • ATK 2009.11.1 update
    • Job opening, scientific software developer
    • Presentation at metrology workshop
    • QuantumWise will present at graphene workshop
    • Updated packages ATK 2009.06
    • ATK 2009.06 released
    • ATK 2009.11 released
    • ATK 2010.01 released
    • ATK 2009.12 released
    • ATK 2009.12 updated
    • ATK User Meeting 7-8 September
    • QuantumWise joins project
    • New tutorials
    • New tutorials
    • ATK/VNL 2008.10 released
    • Press release
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