FHI-aims. All-electron electronic structure theory with numeric atom-centered orbitals.

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Quick overview of FHI-aims
Highlights
versatile

Versatile

Molecules - Clusters
Nanostructures
Surfaces - Solids

precise and accurate

Precise and Accurate

Density Functional Theory
Many-Body Methods
Quantum Chemistry

scalable

Scalable

From Laptops to
Highest-Performance
Computers

 

Highlights

FHI-aims patch release 231212_1 is now available
Software Release 22 Mar 2024
Schematic of the TRHu(ST) method used in this work to predict crystal form stability
Redefining the state of the art in crystal free energy calculations
Case Study 20 Mar 2024
Scheme of TERS spectroscopy
Single molecule signatures from tip-enhanced Raman scattering
Case Study 05 Mar 2024
New FHI-aims major release 231212 is available
Software Release 12 Dec 2023

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