FHI-aims
@fhi_aims
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All-electron electronic structure theory with numeric atom-centered orbitals.
Berlin, Deutschland
Joined August 2021
🥳Now published and online: The new implementation enables fast hybrid DFT calculations with FHI-aims up to several 10,000 atoms - without approximations. Already in the latest release; no extra keywords needed! Try it yourself!
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This webinar starts tomorrow, and you can watch it via Zoom, YouTube, and Koushare! All links can be found on the webpage linked in the post below ⬇️
📢 A new year and a new FHI-aims webinar already lined up. What a great start! Learn about modeling batteries and vibrational spectroscopy with FHI-aims 💻 For more details/registration, click here:
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One week to go for our next webinar! Register if you have not done so already at:
📢 A new year and a new FHI-aims webinar already lined up. What a great start! Learn about modeling batteries and vibrational spectroscopy with FHI-aims 💻 For more details/registration, click here:
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📢 A new year and a new FHI-aims webinar already lined up. What a great start! Learn about modeling batteries and vibrational spectroscopy with FHI-aims 💻 For more details/registration, click here:
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The FHI-aims repo has just passed 20,000 commits! 🎉 A huge thank you to the FHI-aims community, whose outstanding work over the past 20 years has made this milestone possible.
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The recordings of our recent FHI-aims webinar and hands-on session are now online: Thank you to our great speakers, Matthias Scheffler and @carbogno_group, as well as everyone who joined and participated in the lively Q&A and hands-on session! 🥰🎉
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Congratulations Rayan, really great work! Harnessing the power of hybrid-DFT in FHI-aims ⚡️
We found a design rule for realizing exceptionally large spin-splitting in layered hybrid perovskites, while also preserving the SU(2) spin rotation symmetry. Work supported by @ChoiseEfrc @NichInstitute @DukeMEMS
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This starts tomorrow! For more details/registration, see here:
📢 Just one month away from the next entry in our FHI-aims webinar series on December 04 and December 05, 2024! Learn about heat and electrical transport in solids, and current/future developments in FHI-aims. For details and registration go to:
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RT @Materials_MRS: 🚨 Stay in the know during #F24MRS! 🚨Follow us on X, Threads, Instagram, and YouTube for MRS Meeting updates, event highl…
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We're happy to be sponsoring the 2024 @Materials_MRS Fall Meeting & Exhibit this week. Make sure you check out the symposium "Chirality and Spin in Halide Perovskites" chaired by lead FHI-aims developer, Volker Blum. We're sure it will be a very interesting event!
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RT @musichemlab: New article out!😍We are honoured to contribute to special issue on @JPhysChem dedicated to @FrancescIllas & @gianpacc with…
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And now with article number - contributions from FHI-aims developers inside!
🆕 Check out this fantastic new roadmap published in #ElectronicStructure: 'Roadmap on methods and software for electronic structure based simulations in chemistry and materials' - available to read NOW 👉
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📣 We have released a new FHI-aims patch version 240920_2 with several small bug fixes! Head over to the aimsclub to grab the newest version: 📖 The full changelog can be seen here: As always, thank you to all contributors!
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A brilliant week at the NOMAD Symposium on Materials Theory, driven by Aphrodite, ab initio Computations, and Artificial Intelligence in Paphos, Cyprus. Filled with interesting talks, discussions, and lots of great examples of using FHI-aims!
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📢 Just one month away from the next entry in our FHI-aims webinar series on December 04 and December 05, 2024! Learn about heat and electrical transport in solids, and current/future developments in FHI-aims. For details and registration go to:
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Key concepts: 🔸Efficient initialization of ionic and spin-polarized solids 🔸Energy band structure and density of states calculation for a solid 🔸How to construct and simulate clusters 🔸Dealing with system geometries in which s.c.f. convergence is difficult or not unique (3/3)
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⚠️ Tutorial update! ⚠️ Our "Beyond the Basics: Complex Simulation Geometries, Efficient SCF Initialization, Charge and Spin" tutorial has been updated to the latest release version of FHI-aims. You can find the tutorial here: (1/3)
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