Software Update: The ORCA Program System—Version 6.0
This article describes the philosophy behind- and new features in the ORCA quantum chemistry program suite, version 6.0.
Dear ORCA community,
it took a while, but now the ORCA 6.0 article is out! It serves as generic reference for ORCA 6.x. However, if you are serious about supporting our efforts, please take note of the suggested citations at the end of each ORCA run.
wires.onlinelibrary.wiley.com/doi/10.1002/...
28.04.2025 09:01 — 👍 48 🔁 18 💬 1 📌 1
Thank you so much! Same here- I am delighted to be associated with MPI-KOFO once again and am looking forward to exciting science ahead!
04.04.2025 11:24 — 👍 2 🔁 1 💬 0 📌 0
Excited to be awarded the distinction of heading a Max-Planck Partner Group of MPI für Kohlenforschung at
IISc! Grateful to @maxplanck.de, Prof. Neese
@orca-qc-official.bsky.social @dimitriospantazis.bsky.social
for this incredible support, which will fuel our research for the next five years!
25.03.2025 20:20 — 👍 8 🔁 0 💬 1 📌 0
A group of computational chemists at UCLA. We study catalysts, materials, and complex (bio)molecular systems (and make them better!).
Student-run account.
https://www.chem.ucla.edu/~ana/
EMBO is the organization of more than 2,100 leading researchers that promotes excellence in life sciences in Europe and beyond.
https://www.embo.org/
Junior Research Group Leader (Theoretical Chemistry) at TU Berlin.
Flagship journal for @rsc.org, open access with no publication fee, all topics in chemistry. chemicalscience-rsc@rsc.org
Celebrating our 15th year in 2025! 🌐 Website: rsc.li/chemscience
Professor at the University of Chicago. Previously at U Minnesota and U Geneva. From Italy. I value a culture of diversity and solidarity.
https://gagliardigroup.uchicago.edu/
Research, news, and information from the Journal of the American Chemical Society: pubs.acs.org/JACS
Photosynthesis researcher 🌞 plant biologist 🌱 Associate professor at Indiana University Bloomington malnoelab.com
We love spectroscopy, bio-physics, -inorganic chemistry, and -catalysis.
CNRS senior researcher in quantum (bio)inorganic chemistry at Aix Marseille University, France
https://ism2.univ-amu.fr/fr/annuaire/orio-maylis
Nature lover. Curious turned scientist. Part of the ORCA development team. Now bringing Quantum Theory and Molecular Physics to the real world at @faccts-orca.bsky.social
https://scholar.google.com.br/citations?user=U6szjgMAAAAJ&hl=pt-BR
Waitress turned Congresswoman for the Bronx and Queens. Grassroots elected, small-dollar supported. A better world is possible.
ocasiocortez.com
Michael Sattler's Lab @TU_Muenchen & @HelmholtzMunich
We use NMR 🧲 integrated with other techniques to study proteins, RNA & their interactions
Website: https://www.sattlerlab.de//
Professor of theoretical chemistry / molecular physics at Aix Marseille University. Member of Institut Universitaire de France. Newton-X designer.🧪
ChemShell is a computational chemistry environment for multiscale QM/MM modelling developed at STFC Daresbury Laboratory and collaborating groups around the world.
Website: chemshell.org
FACCTs is bringing the ORCA quantum chemistry software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries.
Visit us at www.faccts.de
Structural and mechanistic study of proteins, especially redox- and metalloproteins
Professor & NHMRC Fellow at Monash University, Melbourne. Using microbes to tackle global challenges in health and sustainability. #FirstGen 🐶🇦🇺🌈🎹🌱
Protein and coffee lover, father of two, professor of biophysics and sudo scientist at the Linderstrøm-Lang Centre for Protein Science, University of Copenhagen 🇩🇰
