News

October 2, 2026 - The new FHI-aims 261002 has been released!A new FHI-aims release, 261002, has just become available on aimsclub. The new release has a lot of new features and improvements, including fully-relativistic Q4C forces and stress for LDA and GGA by Wentao Zhang, magnetic anisotropy energy by Xingtao He, GC DFT by Brad Ayers, Skala XC functional, and many more. The full list of changes is available in our CHANGELOG.
The next FHI-aims community meeting will take place on 06 October, 2026, 14:30 CEST.
Click here for the link!
The next FHI-aims community meeting will take place on 02 September, 2026, 14:30 CEST.
Click here for the link!
July 6, 2026 - Release of 260331_1
A new patch release "260331_1" is now available with some minor bug fixes. All details are summarized in the CHANGELOG.
The next FHI-aims community meeting will take place on 22 July, 2026, 14:30 CEST.
Click here for the link!
June 12, 2026 - FHI-aims Developers and Users Meeting 2026
The FHI-aims Developers and Users Meeting successfully took place in Hamburg from 10-12 June, 2026. The meeting brought together around 60 Developers and Users of FHI-aims from around the world, who described recent progress enabling new features and advancing science with the code. Many fruitful discussion sessions plotting the future path of FHI-aims also took place. The program of the event can be found at https://events.ms1p.org/e/fhi-aims-du-2026.
March 31, 2026 - Release of 260331
A new FHI-aims release, 260331, is now available for download on aimsclub. This release incorporates numerous new features (including a ScaLAPACK version of polarization by Elia Stocco, inclusion of libRPA for low scaling GW/RPA by Minye Zhang, fully analytical G0W0 self-energy for molecules by Jannis Kockläuner, constrained NEO by Songrui Liu) and important bug fixes, made possible through the valued contributions of our community. For a comprehensive overview of all changes, please refer to the CHANGELOG.
The next FHI-aims community meeting will take place on 13 April, 2026, 14:30 CEST.
Click here for the link!
March 01, 2026 - Registration now open for FHI-aims Developers and Users Meeting 2026
The registration for the FHI-aims Developers' and Users' Meeting 2026 is now open. All info can be found at https://events.ms1p.org/e/fhi-aims-du-2026.
February 17, 2026 - Release of 250822_1
A new patch release "250822_1" is now available with some minor bug fixes. All details are summarized in the CHANGELOG.
February 1, 2026 - The next entry in the FHI-aims webinar series: Multiscale Modeling with Explicit Embedding Approaches in FHI-aims
We are pleased to announce the next entry in the FHI-aims series titled "Multiscale Modeling with Explicit Embedding Approaches in FHI-aims". The next webinar will be held on February 25 and February 26, 2026. Please register and find more details at https://events.ms1p.org/e/webinar_explicit_embedding.
August 22, 2025 - Release of 250822
A new FHI-aims release, 250822, is now available for download on aimsclub. This release incorporates numerous new features (including EmbASI interface by Gabriel Bramley, Superconductivity module by Connor Box, implementation of relativistic Q4C with Scalapack by Wentao Zhang) and important bug fixes, made possible through the valued contributions of our community. For a comprehensive overview of all changes, please refer to the CHANGELOG.
August 3, 2025 - The next entry in the FHI-aims webinar series: Explainable AI models for Materials Science with the SISSO Approach
We are pleased to announce the next entry in the FHI-aims series titled "Explainable AI models for Materials Science with the SISSO Approach". The next webinar will be held on September 3 and September 4, 2025. Please register and find more details at https://indico.ms1p.org/e/webinar_sisso.
June 02, 2025 - Release of 250320_1
A new patch release "250320_1" is now available with some minor bug fixes. All details are summarized in the CHANGELOG.
May 4, 2025 - The next entry in the FHI-aims webinar series: Accurate Electronic Properties of Molecules and Materials from the GW Approach
We are pleased to announce the next entry in the FHI-aims series titled "Accurate Electronic Properties of Molecules and Materials from the GW Approach". The next webinar will be held on June 4 and June 5, 2025. Please register and find more details at https://indico.ms1p.org/e/webinar_gw.
March 20, 2025 - Release of 250320
Thanks to many contributions a new FHI-aims release "250320" is now available on aimsclub for download. This release contains many new features as well as bugfixes - you are welcome to check the CHANGELOG for more information.
March 7, 2025 - The next entry in the FHI-aims webinar series: From Model to Mechanism in Heterogeneous Catalysis
We are pleased to announce the next entry in the FHI-aims series titled "From Model to Mechanism in Heterogeneous Catalysis". The next webinar will be held on April 02 and April 03, 2025. Please register and find more details at https://indico.ms1p.org/e/webinar_catalysis.
December 15, 2024 - The third webinar in the FHI-aims series is titled: "Advanced Electronic Structure Methods for Battery Design and Vibrational Spectroscopy."
We are pleased to announce the next webinar in the series, titled "Advanced Electronic Structure Methods for Battery Design and Vibrational Spectroscopy." The webinar will take place on January 29-30, 2025. To learn more, visit https://indico.ms1p.org/e/webinar_batteries.
November 18, 2024 - Release of 240920_2
A patch release of the major version "240920_2". Some bugfixes have been incorporated, see CHANGELOG for more information.
November 1, 2024 - The second webinar in the FHI-aims series: "FHI-aims Roadmap and Accurate Modelling of Thermal and Electrical Transport in Solids."
We are excited to invite you to the second installment of our FHI-aims webinar series on December 4–5, 2024. This session, titled "FHI-aims Roadmap and Accurate Modelling of Thermal and Electrical Transport in Solids," will dive into the future of the code and the technicalities of transport properties. Find full details and registration at: https://indico.ms1p.org/e/webinar_conductivity.
September 20, 2024 - Release of 240920
A new FHI-aims release "240920" is now available at fhi-aims.org. This release includes a number of improvements - most importantly, support for D3 dispersion by linking to the s-dftd3 library (James Green made this happen - thanks!), some significant additions to the XDM infrastructure (thanks! Kyle Bryenton and Erin Johnson's group), ability to use more efficient, rotated k-space grids in periodic hybrid DFT, using the autoGR library (enabling another significant efficiency improvement for some systems; thank you to Sebastian Kokott and Andrei Sobolev), support for COOP (thanks! to Izumi Takahara) and many more things. A more complete summary can be found in the CHANGELOG.
August 22, 2024 - Start of the FHI-aims webinar series: Efficient Dispersion-Corrected Hybrid DFT
The first entry in our webinar series titled "Efficient Dispersion-Corrected Hybrid DFT for Organic and Hybrid Organic-Inorganic Systems" is happening on September 25 - 26. Please register and find more details here: https://indico.ms1p.org/e/webinar_dispersion_corrected_hybrid_DFT
July 11, 2024 - Efficient all-electron hybrid DFT in FHI-aims - beyond 10,000 atoms
The significant advances to enable efficient and scalable hybrid DFT calculations in FHI-aims are now published. To read the corresponding highlight story, click here. All changes and improvements are part of the latest release and enabled by default. No need to set extra keywords!
May 07, 2024 - Release of 240507
A new FHI-aims release "240507" is now available in the aimsclub. This release includes a number of improvements - most importantly, yet significantly easier hybrid DFT band structure calculations. The release coincides with the FHI-aims UK Meeting 2024 in Warwick, UK. All details are summarized in the CHANGELOG.
March 21, 2024 - Release of 231212_1
A new patch release "231212_1" is now available in the aimsclub. Thanks for the feedback on the initial major release 231212. All details are summarized in the CHANGELOG.
February 05, 2024 - Temperature Dependent Effective Potentials (TDEP) with FHI-aims
The Temperature Dependent Effective Potentials (TDEP) code is officially released and has full support for FHI-aims. It can be used to describe thermodynamic properties in classical and quantum ensembles, as well as several response properties such as thermal transport and Raman spectroscopy. Congratulations to Florian Knoop and all the authors for their great work! All details of the code and its usage can be found here: https://github.com/tdep-developers/tdep.
December 12, 2023 - Release of 231212
A new major release "231212" is now available in the aimsclub. Many thanks to all contributors! Read the CHANGELOG for more details.
September 29, 2023 - New GIMS release
The new release has two more calculation apps that add support for GW calculations and MD simulations. Check it out: gims.ms1p.org. You can find the changelog here.
September 12, 2023 - Two open positions at MS1P e.V.
We are looking for two software scientists / software engineers to help advance the FHI-aims code and be a part of exciting industry collaborations! All details can be found here.
Apr 28, 2023 - Release of 221103_1
A new minor release "221103_1" is now available in the aimsclub. Thanks for the feedback on the initial major release 221103. All details are summarized in the CHANGELOG.
Nov 10, 2022 - Release of 221103
A new major release "221103" is now available in the aimsclub. A big thanks to all contributors! Read the CHANGELOG for more details.
Sep 14, 2022 - Exchange-hole dipole moment (XDM) dispersion model in FHI-aims
Alberto Otero de la Rosa, Alastair Price and Erin Johnson added support for the XDM method (and the B86bPBE functionals) to the mainline version of FHI-aims, for accurate, affordable dispersion corrected DFT for molecules & solids and particularly molecular crystals.
Jul 28, 2022 - CC-aims: An interface for FHI-aims to Coupled Cluster for Solids (CC4S)
Happy to announce the Evgeny Moerman published his interface CC-aims, recently. Congratulations! All details about how to use this interface to perform a coupled cluster calculation for solids can be found here: https://moerman1.gitlab.io/fhi-cc4s/
March 22, 2022 - Minor Release 210716_3
Yet, another minor release fixing a bug for the GNU compiler in the polarization part. You can download it from the aimsclub.
September 14, 2021 – Minor Release 210716_2
Another minor release fixing a small bug in the periodic GW code part. Check it out in the aimsclub.
July 30, 2021 – Minor Release 210716_1
A new minor release "210716_1" is now available in the aimsclub. It contains some important fixes to the initial major release! Read the CHANGELOG for more details.
July 19, 2021 – Release of 210716
A new major release "210716" is now available in the aimsclub. A big thanks to all contributors! Read the CHANGELOG for more details.
June 25, 2021
FHI-aims Online-Tutorial Series 2021: Registration open!
Please register here: https://indico.fhi-berlin.mpg.de/e/FHIaimsTutorialSeries2021
Find more details here.
May 18, 2021
The new FHI-aims website is now live. We are immensely grateful to all contributors to FHI-aims (see Who We Are) - over 150 individuals since 2004.
May 17, 2021
A new FHI-aims tutorial is available at https://fhi-aims-club.gitlab.io/tutorials/COST-FHIaims-tutorial/ . Tasks covered include first steps with FHI-aims for molecules, as well as how to approach a specific problem: the spin-polarized solid hematite and simple chemical reactions at hematite based nanostructures.
March 04, 2021 – Release of 210226
A new major release "210226" is now available in the aimsclub. Significant updates since the last major release in 2020 and a huge thank you to all contributors! Read the CHANGELOG for more details.