QuantumWise released a new version of their Atomistix ToolKit (ATK) simulation software. The new version speeds up simulation performance by 40%. Besides the performance boost, the new ATK 2014 release includes several new features such as Spin-orbit interaction and Meta-GGA for accurate first-principle prediction of the electronic structure. These features can be used for both bulk semiconductor materials and nanostructures and 2D materials like graphene.
The inclusion of noncollinear spin enables computations of spin transfer torque and other properties of magnetic tunnel junctions - useful for MRAM devices and other Spintronics applications.
ATK 2014 also expands the types of problems that can be studied with the software by making it possible to compute mechanical and thermal properties, in addition to the electronic transport properties that have been the hallmark of ATK for over 10 years.
QuantumWise also updated their Virtual NanoLab and expanded it to act as a graphic user interface for other codes like VASP, Quantum Espresso and LAMMPS. These codes are popular but lack a good front-end and Virtual NanoLab can now solve this problem. It is now possible to design advanced structures in an interactive high-performance 3D atomic builder and automatically generate run-ready input files for any external code.
