James Green
@james29892.bsky.social
Advancing @fhi-aims.bsky.social in Berlin.
Will be speaking at this tomorrow - looking forward!
We are looking forward to the Hands-on Workshop on Electronic-Structure Theory and Artificial Intelligence for Materials Science tomorrow!
In case you aren't in Shanghai, you can find livestreams of all the lectures, beginning at 10.00 CST 5 November here: www.koushare.com/live/details...
In case you aren't in Shanghai, you can find livestreams of all the lectures, beginning at 10.00 CST 5 November here: www.koushare.com/live/details...
November 4, 2025 at 3:51 PM
Will be speaking at this tomorrow - looking forward!
Reposted by James Green
📢 New FHI-aims release 250822 📢
Lots of new things including: QM-in-QM embedding with EmbASI, superconductivity, implicit solvation with Environ, Q4C up to 1500 atoms, faster range separated hybrids, and a whole lot more.
A huge thank you to everyone who contributed!
Lots of new things including: QM-in-QM embedding with EmbASI, superconductivity, implicit solvation with Environ, Q4C up to 1500 atoms, faster range separated hybrids, and a whole lot more.
A huge thank you to everyone who contributed!
August 25, 2025 at 11:06 AM
📢 New FHI-aims release 250822 📢
Lots of new things including: QM-in-QM embedding with EmbASI, superconductivity, implicit solvation with Environ, Q4C up to 1500 atoms, faster range separated hybrids, and a whole lot more.
A huge thank you to everyone who contributed!
Lots of new things including: QM-in-QM embedding with EmbASI, superconductivity, implicit solvation with Environ, Q4C up to 1500 atoms, faster range separated hybrids, and a whole lot more.
A huge thank you to everyone who contributed!
Reposted by James Green
📣 We are happy to announce the next FHI-aims webinar in September. Find out about explainable AI models for materials science using the SISSO approach with Thomas Purcell and Lucas Foppa!
For more details/registration, click here: indico.ms1p.org/e/webinar_si...
For more details/registration, click here: indico.ms1p.org/e/webinar_si...
August 4, 2025 at 11:00 AM
📣 We are happy to announce the next FHI-aims webinar in September. Find out about explainable AI models for materials science using the SISSO approach with Thomas Purcell and Lucas Foppa!
For more details/registration, click here: indico.ms1p.org/e/webinar_si...
For more details/registration, click here: indico.ms1p.org/e/webinar_si...
Happy to have contributed a little to this in the past year - what a fantastic effort from everyone involved!
Our big overview paper "Roadmap on Advancements of the FHI-aims Software Package" appeared today on ArXiV:
arxiv.org/abs/2505.00125
Thank you to our INCREDIBLE community of so many individuals who contributed to FHI-aims and pushed the boundaries of electronic structure theory!
arxiv.org/abs/2505.00125
Thank you to our INCREDIBLE community of so many individuals who contributed to FHI-aims and pushed the boundaries of electronic structure theory!
Roadmap on Advancements of the FHI-aims Software Package
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accuracy at the base, relia...
arxiv.org
May 5, 2025 at 8:23 AM
Happy to have contributed a little to this in the past year - what a fantastic effort from everyone involved!
New FHI-aims release with lots of new stuff from lots of contributors, nice!
Some things from me include a refactor of the spin texture code, allowing use of ScaLAPACK to study really big systems with it, some improvements to D3 dispersion correction usage, and a whole host of bugs fixed 🪲
Some things from me include a refactor of the spin texture code, allowing use of ScaLAPACK to study really big systems with it, some improvements to D3 dispersion correction usage, and a whole host of bugs fixed 🪲
🚨 New FHI-aims release 250320! 🚨
New Dynamical Configuration Interaction method, warnings module, improvements to GW, BSE, RI, Periodic TERS, XDM, spin texture, CODATA handling, phonons and a whole lot more. A huge thank you to everyone who contributed! fhi-aims.org/uploads/docu...
New Dynamical Configuration Interaction method, warnings module, improvements to GW, BSE, RI, Periodic TERS, XDM, spin texture, CODATA handling, phonons and a whole lot more. A huge thank you to everyone who contributed! fhi-aims.org/uploads/docu...
March 21, 2025 at 10:54 AM
New FHI-aims release with lots of new stuff from lots of contributors, nice!
Some things from me include a refactor of the spin texture code, allowing use of ScaLAPACK to study really big systems with it, some improvements to D3 dispersion correction usage, and a whole host of bugs fixed 🪲
Some things from me include a refactor of the spin texture code, allowing use of ScaLAPACK to study really big systems with it, some improvements to D3 dispersion correction usage, and a whole host of bugs fixed 🪲
Reposted by James Green
📢 We are happy to announce our next FHI-aims webinar. Find out how to model heterogenous catalysis with FHI-aims and Ray Miyazaki!
For more details/registration, click here: indico.ms1p.org/e/webinar_ca...
For more details/registration, click here: indico.ms1p.org/e/webinar_ca...
March 7, 2025 at 9:39 AM
📢 We are happy to announce our next FHI-aims webinar. Find out how to model heterogenous catalysis with FHI-aims and Ray Miyazaki!
For more details/registration, click here: indico.ms1p.org/e/webinar_ca...
For more details/registration, click here: indico.ms1p.org/e/webinar_ca...