“Built with the high-performance quantum chemistry program package ORCA (Version 6.0.1), OMol25 contains simulations of large atomic systems that, until now, have been out of reach.” - Meta
#ORCAqc #ORCA6 #CompChem #QuantumChem #ML #Meta
Meta Blog post: https://ai.meta.com/blog/meta-fair-science-new-open-source-releases/
Join us at the free Virtual Winter School on Computational Chemistry and learn more about the features of ORCA 6! The ORCA workshop starts on Thursday, January 30th at 2 pm CET. The program and more information can be found here:
The academic version of ORCA 6.0.1 (FACCTs & MPI Kofo) can now be downloaded via the ORCA forum (https://orcaforum.kofo.mpg.de/app.php/portal).
ORCA 6 release talks: https://youtube.com/@faccts_orca
Manual: https://www.faccts.de/docs/orca/6.0/manual/
The new bugfix version ORCA 6.0.1 (FACCTs & MPI für Kohlenforschung) will be released tomorrow, November 5th 2024. The download of the academic version will be possible via https://orcaforum.kofo.mpg.de), stay tuned!
With ORCA 6 (FACCTs & MPI Kofo), openCOSMO-RS became part of its versatile solvation toolkit. Check out the new paper on its most recent parameterization (https://doi.org/10.1016/j.fluid.2024.114250) and try it yourself with our tutorial.
https://www.faccts.de/docs/orca/6.0/tutorials/prop/cpcm.html#opencosmo-rs
The 16th Latin American Conference on Physical Organic Chemistry (CLAFQO-16) starts on November 4th in Florianópolis, Brazil! Bernardo De Souza will give a presentation on the new Global Optimizer AlgoriThm (GOAT) in ORCA 6 (FACCTs & Max-Planck-Institut für Kohlenforschung).
Missed the ORCA 6 Release Event? No problem, all talks are now available on our YouTube channel (https://youtube.com/@faccts_orca), the academic (MPI KoFo) ORCA channel (https://youtube.com/@orcaquantumchemistry), and the ORCA forum (https://orcaforum.kofo.mpg.de/app.php/portal).
FACCTs
Henrique C. S. Junior