Benjamin Shi
@benshi.bsky.social
Computational material scientist at Flatiron Institute
Reposted by Benjamin Shi
Yes, well - FHI-aims works. AFAIK our periodic hybrid DFT can reach systems that I haven't seen anywhere else pubs.aip.org/aip/jcp/arti... ... and in addition to much development (as always) we spent a lot of time on tutorials, webinars, etc. recently.
Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms
Hybrid density functional approximations (DFAs) offer compelling accuracy for ab initio electronic-structure simulations of molecules, nanosystems, and bulk mat
pubs.aip.org
February 5, 2025 at 4:41 AM
Yes, well - FHI-aims works. AFAIK our periodic hybrid DFT can reach systems that I haven't seen anywhere else pubs.aip.org/aip/jcp/arti... ... and in addition to much development (as always) we spent a lot of time on tutorials, webinars, etc. recently.