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QuantumWise and the Theory Department of the Fritz Haber Institute (FHI) of the Max Planck Society jointly now offer a complete software solution that integrates the all-electron calculation engine FHI-aims and Virtual NanoLab, the efficient and intuitive graphical user interface for atomistic simulations from QuantumWise.
FHI-aims is an all-electron LCAO code for efficient high-accuracy DFT-calculations with advanced exchange-correlation methods like HSE and many-body perturbation theory. It has been tested with system sizes of 1000s of atoms and is highly parallelized. It can be used to perform efficient all-electron modeling of molecules, clusters, surfaces, interfaces and bulk materials.
Running all-electron calculations has never been easier! The integrated Virtual NanoLab/FHI-aims package enables you to easily and accurately simulate properties like total energies, band structures, density of states, and more. Virtual NanoLab gives you a long list of tools to build structures, generate input scripts and run calculations, as well as to analyze and visualize the results.
The combination of Virtual NanoLab (VNL) and FHI-aims provides superior ease of use for accurate and efficient all-electron calculations. You will get the full range of functionality in FHI-aims (including the source code), and all the features of Virtual NanoLab which gives a convenient end-to-end user experience.
All-electron calculation engine by FHI-aims
Virtual NanoLab for an efficient and intuitive work-flow
A license for FHI-aims is included when you download Virtual NanoLab and ATK. If you are already using Virtual NanoLab you must apply for a trial license to get started with FHI-aims.
Interested in buying a license for FHI-aims/Virtual NanoLab? Send us your contact information and we will get back to you.
Industrial licenses for FHI-aims can only be purchased from QuantumWise A/S, and only as a full package including Virtual NanoLab.