Software with Support for FHI-aims


GIMS: Graphical interface for materials simulations

A universal force engine interface written in Python


FHI-vibes: A python package for the vibrational properties of solids from first principles

Atomic Simulation Environment


Pymatgen (Python Materials Genomics)

Cc4s: Coupled Cluster for Solids

Object-oriented Python library to analyze trajectories from molecular dynamics simulations


Core level spectroscopy simulation methods in FHI-aims

GAtor: A genetic algorithm for structure prediction of molecular crystals

BOSS: Active learning technique for global exploration of energy and property phase space, and for accelerated structure determination


effmass: Python package for calculating various definitions of effective mass from the electronic bandstructure of a semiconducting material.