FHI-aims: One-stop Solution for First-Principles Simulation of Molecules and Solids
MS1P is coordinating the development and licensing of the software package FHI-aims (Fritz Haber Institute ab initio molecular simulations). The initial development of FHI-aims has been performed at the Fritz Haber Institute of the Max Planck Society. In recent years a wider community has been and continues to contribute to the further development of the FHI-aims source code. The Max Planck Society has transferred the right to use and exploit FHI-aims to MS1P.
The primary production method in FHI-aims is density functional theory. The software is also a flexible framework for advanced approaches to calculate ground- and excited-state properties. Current developments include hybrid functionals, Hartree-Fock and Møller- Plesset perturbation theory (MP2), QM/MM, and many-body perturbation theory (GW selfenergies). Due to the choice of atom-centered basis functions both molecules and solids can be simulated with the software.
We offer two standard types of licenses in order to obtain FHI-aims source code:
- Academic license: use of FHI-aims in an academic setting by a single research group (at a university, non-profit research labs, etc.)
- Commercial license: use of FHI-aims in a non-academic setting, such as in companies.
Additionally, we provide also customised licenses for other cases. In any case please contact us for further information: firstname.lastname@example.org.
For more information about FHI-aims and how to obtain it please visit: