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QuantumWise

When Every Atom Matters

First-principles simulation software for nanoscience

QuantumWise software is used to model the electronic structure of molecules, crystals, and surfaces. It is distinguished by its unique capability to simulate electrical transport in nano-devices, and its ability to treat large-scale systems. The QuantumWise platform is based on an open architecture which integrates a powerful scripting language with a GUI platform. The software is actively used in a wide range of application areas such as:

Molecular electronics
Carbon nanotubes
Graphene
Complex interfaces (metal/semiconductor junctions,
high-k dielectrics, nanowires, etc)

Computational material science
Bulk and nanoscale semiconductors
Surface electrochemistry
Magnetic systems and spintronics

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ATK 2010.02 released

Finally runs on Redhat - and has forces for DFT!

New tutorials

Three new tutorials have been published, including one on single electron transistor calculations with ATK 2010.01!

ATK 2010.01 released

This version is mainly a bug-fix release. Most notably it solves a threading problem, making it an essential update for all users.

ATK 2009.12 updated

The Windows version of ATK 2009.12 released earlier this week was missing one library component. Users experiencing installation problems should download the new build (3643) and re-install ATK.

ATK 2009.12 released

ATK 2009.12 makes the semi-empirical model available on Windows, enables calculations on charged systems, and can treat a system immersed in a solvent.