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Software Release
22 Mar 2024
FHI-aims patch release 231212_1 is now available

We have released a new FHI-aims patch version 231212_1 with several small bugfixes.

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Schematic of the TRHu(ST) method used in this work to predict crystal form stability
Case Study
20 Mar 2024
Redefining the state of the art in crystal free energy calculations

A collaboration by researchers from Avant-Garde Materials Simulation (AMS), the University of Luxembourg, and partners in the pharmaceutical sector has redefined the state of the art for calculating free energies in molecular crystals. Published recently in Nature, the study has shown that computer simulations that take into account real-world temperature and humidity conditions can accurately predict crystal form stability relevant for pharmaceutical applications.

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Software Release
12 Dec 2023
New FHI-aims major release 231212 is available

A new major FHI-aims release "231212" is now available at the aimsclub!

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