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FACCTs @faccts.de · 28/09/2026

Great week at #STC2026 in Graz! We were happy to sponsor some Poster Awards and congratulate Jonas Hänseroth, Friederike Schneider & Patrick Melix. We hope you enjoy your #ORCA hoodies! Thanks to the organizers and all who stopped by our booth. See you next time! #FACCTs #ChemSky #CompChem

FACCTs sponsored some Poster awards at the STC 2026! Congratulations to all winners!

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FACCTs @faccts.de · 11/09/2026

Meet us at #STC2026 in Graz! We’re looking forward to seeing familiar faces and welcoming new members to the #ORCA family. Stop by our booth to talk with the team about ORCA, our Python interface #OPI, and your research. See you in Graz! #FACCTs #ChemSky #CompChem #DFT #QuantumChem #Python

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FACCTs @faccts.de · 06/09/2026

Meet us at #ICPOC27 in Munich and learn more about ORCA and our Python interface, OPI. We are looking forward to meeting you! ORCA: www.faccts.de/orca/ OPI: www.faccts.de/docs/opi/2.0... OPI at GitHub: github.com/faccts/opi #ORCA #OPI #CompChem #QuantumChemi #Python #FACCTs

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FACCTs @faccts.de · 26/08/2026

#DFT2026 is in full swing! Come by and meet us, hear Benjamin Helmich-Paris talk on Excited-State Methods Based on State-Averaged CASSCF-DFT, and discuss Bernardo de Souza’s poster with him. Looking forward to more great conversations! #DFT #ORCA #FACCTs #CompChem #ChemSky

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FACCTs @faccts.de · 19/08/2026

We’re sponsoring and exhibiting at #DFT2026 in Donostia/San Sebastián! Come by to learn more about #ORCA and #OPI, and don’t miss Benjamin Helmich-Paris’ talk next Thursday at 12:20 on excited-state methods based on state-averaged CASSCF-DFT. #DFT2026 #CompChem #QuantumChem #Python #ChemSky

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FACCTs @faccts.de · 17/08/2026

ORCA is ready for agentic science! With machine-readable JSON output, the ORCA Python Interface (OPI), and extensive docs/tutorials, ORCA combines powerful quantum chemistry with the programmatic control needed for automated workflows and AI agents. #ORCA #QuantumChem #AgenticAI #ChemSky #Python

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FACCTs @faccts.de · 05/08/2026

Earlier this July, Bernardo de Souza represented #FACCTs as a plenary speaker at QUITEL 2026 in Coimbra. Thanks to the organizers and everyone who joined the discussions. Great science, new ideas and valuable connections! Até à próxima, Coimbra! #CompChem #QuantumChem #ORCA #QUITEL2026

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FACCTs @faccts.de · 22/07/2026

ORCA? WEASEL? Dream Team! Discover how ORCA as a robust and efficient quantum chemistry engine and WEASEL can streamline your computational chemistry workflows: ORCA: www.faccts.de/orca WEASEL: www.faccts.de/weasel #QuantumChem #CompChemistry #ChemSky #ChemistrySoftware

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FACCTs @faccts.de · 17/07/2026

We had a blast at #ECC10! Great conversations, fresh ideas, and plenty of new connections. Thanks to everyone who stopped by and spent time with the FACCTs team. Hope to see you again soon! #FACCTs #ORCA #WEASEL #CompChem #QuantumChem Left and right photos: © M. Menche

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FACCTs @faccts.de · 10/07/2026

We’ll be exhibiting at #ECC10 in beautiful Antwerp. Come by Booth 5 and meet the team. You can also catch our colleagues presenting throughout the conference. Hope to see you there. #ECC10 #FACCTs #ORCA #WEASEL #CompChem #QuantumChem

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FACCTs @faccts.de · 06/07/2026

Bernardo de Souza (@bernadsz.bsky.social) is representing FACCTs at #QUITEL2026 in Portugal. Join his SURFF talk on Wed, 8.7., 14:45, and learn more about the #ORCA quantum chemistry program package on Thu, 9.7., 16:50. See you there! #FACCTs #QuantumChemistry #ComputationalChemistry #ForceFields

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FACCTs @faccts.de · 20/05/2026

It was a great pleasure to visit our #QUICHE partners at Quantum Motion and @riverlane.com and gain first-hand insights into their cutting-edge #QuantumComputing technology. Thank you for the inspiring exchange - let’s keep shaping the future together! #QuantumChemistry #ORCA

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FACCTs @faccts.de · 05/05/2026

We are pleased to support the @keystonesymposia.bsky.social meeting on Computational Advances in Drug Discovery. Join our team and learn more about our CADD toolkit. We look forward to seeing you there. #FACCTs #KSDrugDiscovery26 #CADD #CompChem #QuantumChem #DrugDiscovery #ORCA #WEASEL

FACCTs at the Keystone Symposia meeting on Computational Advances in Drug Discovery

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FACCTs @faccts.de · 04/05/2026

The new getter functions in version 2 of our ORCA Python Interface #OPI make it easier to access specific outputs from #ORCA calculations. Check out the paper (doi.org/10.1021/acs....) and the docs (www.faccts.de/docs/opi/2.0...) to learn more about this feature. #ORCAqc #Python #CompChem #ChemSky

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FACCTs @faccts.de · 24/03/2026

Visit our team at the Analytica in Munich to learn more about our latest software solutions. We’re looking forward to connecting and exchanging with you. Hall A3, Booth 503-1 #FACCTs #analytica2026 #CompChem #QuantumChem #Workflows #Automation #AI #AnalyticChem #ORCA #WEASEL #TOUCAN

FACCTs at the Analytica, Munich. Hall A3, Booth 503-1.

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FACCTs @faccts.de · 27/02/2026

On March 24, #analytica 2026 kicks off in Munich — and we’re excited to be part of it. Experience #WEASEL, #ORCA, and more live and discover how our solutions elevate your processes to a new level of efficiency. We look forward to seeing you there #FACCTs #QuantumChem #Workflows #AnalyticalChem

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FACCTs @faccts.de · 19/02/2026

With our latest #WEASEL release, it is time to introduce another workflow: the fully automated calculation of rotational barriers for arbitrary molecules, enabling the reliable identification and classification of #atropisomers. www.faccts.de/weasel/ #FACCTs #Workflows #QuantumChem #CompChem #CADD

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FACCTs @faccts.de · 28/01/2026

Check out the new Jupyter notebook on the calculation of redox potentials with #ORCA and #OPI by #FACCTs Computational Scientist Hagen Neugebauer: www.faccts.de/docs/opi/nig... OPI Docs: www.faccts.de/docs/opi/docs/ OPI GitHub: github.com/faccts/opi #ORCAqc #ORCAPI #CompChem #Python #ChemSky

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FACCTs @faccts.de · 19/01/2026

Young, curious scientists are our future. That’s why we’re especially delighted to sponsor this year’s #JCF Frühjahrssymposium in our hometown of Cologne. We’re looking forward to meeting many of you there! symposium.jcf.io #FACCTs #FJS2026 #JungesChemieForum #GDCh #ORCAqc #OPI #ChemSky

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FACCTs @faccts.de · 12/01/2026

We’re excited to sponsor this year’s #CCSC2026. Meet us in Munich to learn more about the latest ORCA features and our ORCA Python Interface #OPI. We’re looking forward to seeing you there! CCSC: ccsc2026.github.io ORCA: www.faccts.de/orca/ OPI: github.com/faccts/opi #FACCTs #ORCAqc #CompChem #ML

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FACCTs @faccts.de · 05/01/2026

What an incredible Christmas gift! The #ORCA community has reached a major milestone: 100,000 registered users. Thank you all for your trust and for being such an important part of ORCA’s journey. Your support is what makes this success possible. #ORCAqc #FACCTs #MPIKOFO #CompChem #ChemSky

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FACCTs @faccts.de · 20/12/2025

We at FACCTs wish you all a wonderful and peaceful holiday season and a great start to the new year! #FACCTs #ORCAqc #WEASEL #Holidays

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FACCTs @faccts.de · 05/12/2025

Use Fukui functions to estimate molecular reactivity and pinpoint reactive sites. With #WEASEL, you can visualize them and get all associated indices easily using just one command! Learn more about WEASEL www.faccts.de/weasel #FACCTs #CompChem #QuantumChem #Fukui #Reactivity #WorkflowAutomation

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FACCTs @faccts.de · 24/11/2025

Efficiency, robustness, adaptability. Three aspects that characterize our #WEASEL workflows! One of WEASELs workflows is IM-CCS prediction which reliably predicts #IMCCS with a MARD of 1.7% (2.9 Å) for a set of 48 molecules. Check out WEASEL at www.faccts.de/weasel. #FACCTs #ChemSky #CompChem

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FACCTs @faccts.de · 05/11/2025

We will be presenting at the World Science Day in Bochum, organized by RESOLV! We look forward to seeing many of you at this fantastic science and industry networking event. www.solvation.de/news/resolv-... #FACCTs #RESOLV #WorldScienceDay25 #ScienceMeetsIndustry #Innovation

FACCTs at the RESOLV World Science Day 2025

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FACCTs @faccts.de · 22/09/2025

Visit Anneke Dittmer, Bernardo de Souza, and Christoph Riplinger at the SMASH in beautiful Porto! Get the latest information about our quantum chemical NMR toolkit. We look forward to seeing you there! #FACCTs #ORCAqc #SMASH2025 #CompChem #TheoChem #NMR

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FACCTs @faccts.de · 22/09/2025

We are visiting STC in Berlin! Come and join us at our poster presentation—we look forward to many exciting discussions with you! Also check out all the new ORCA features and the new ORCA Python interface, OPI! #FACCTs #ORCAqc #STC2025 #CompChem #TheoChem

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FACCTs @faccts.de · 15/09/2025

We are excited to be at EuChemS CompChem, Naples! Join our team to learn more about ORCA and its new Python interface, OPI. Don’t miss Christoph Riplinger’s talk on Tuesday at 15:45. We’re looking forward to discussing great science with many of you! #ORCAqc #ORCA #CompChem #QuantumChem #ChemSky

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FACCTs @faccts.de · 27/08/2025

Great to see many of our collaborators and friends from the ORCA community including Michael Römelt, Dimitrios Pantazis, @podewitzlab.bsky.social, @letigonzalez.bsky.social, @kulikgroup.bsky.social, and many more at the QBIC VII in Berlin, Germany! #QBICVII #CompChemSky #ChemSky #ORCAqc #ORCA

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FACCTs @faccts.de · 22/06/2025

We are visiting the WATOC 2025, Oslo! Come and visit our booth to discuss and join Christoph Riplingers talk on Tuesday, 18:30 - Deciphering Ligand Interactions with Biomolecules Using Quantum Mechanical Methods Hope to see you there! #FACCTs #WATOC2025 #CompChemSky #ChemSky #ORCAqc #ORCA61

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FACCTs @faccts.de · 16/06/2025

ORCA 6.1 will be released tomorrow after the online event to which you are all invited! As a final appetiser, we have a sneak preview of some new methods that will be available in the new version. #ORCA61 #ORCAqc #CompChem #QuantumChem #TheoChem #FACCTs #MPIKOFO #ChemSky #CompChemSky

New methods in ORCA 6.1. Bubblepoles, MCPDFT, ADFT, NEVPT3, NEVPT4(SD)

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FACCTs @faccts.de · 13/06/2025

Join us for the ORCA 6.1 online release event! ZOOM Webinar ORCA 6.1 Release Event - Jun 17, 2025 12:00 AM Amsterdam, Berlin, Rome, Stockholm, Vienna (CEST) Link: eu02web.zoom-x.de/j/6815327020... Passcode: 297206 #ORCA61 #ORCAqc #FACCTs #CompChem #QuantumChem #ChemSky #CompChemSky

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FACCTs @faccts.de · 10/06/2025

New week, new ORCA 6.1 features (@faccts.de & @orca-qc-official.bsky.social )! Today we preview some improvements for multiscale- and large molecule simulations as well as some new properties and utilities. Stay tuned! #ORCA61 #ORCAqc #FACCTs #QuantumChem #CompChem #ChemSky #CompChemSky

ORCA 6.1 Features. Multiscale and large molecule simulations.

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FACCTs @faccts.de · 05/06/2025

Save the Date! Join us for the ORCA 6.1 (@faccts.de & @orca-qc-official.bsky.social) online release event on 17th June 2025 12:00 CEST. We look forward to many exciting discussions with you! #ORCAqc #ORCA61 #FACCTs #QuantumChem #CompChem #ChemSky #CompChemSky

ORCA 6.1 release event on June 17th 2025. Online ZOOM webinar.

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FACCTs @faccts.de · 28/05/2025

@faccts.de will be exhibiting at ICCS2025 (@intconfchemstr.social.edu.nl.ap.brid.gy)! We’re looking forward to meeting you all at booth 9 and invite you to attend Christoph Riplingers and Bernardo de Souza's (@bernadsz.bsky.social) talks. #FACCTs #ORCAqc #ICCS2025 #ChemSky #CompChemSky #QuantumChem

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FACCTs @faccts.de · 22/05/2025

ORCA 6.1 (@faccts.de & @orca-qc-official.bsky.social) will feature various new energy decomposition methods developed by the Bistoni lab. ADLD is one of them, check out the paper doi.org/10.1021/acsc.... #ORCA61 #ORCAqc #CompChem #QuantumChem #ChemSky #CompChemSky

New energy decomposition methods coming with ORCA 6.1

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FACCTs @faccts.de · 14/05/2025

ORCA 6.1 (@faccts.de & @orca-qc-official.bsky.social) will bring many exciting new features. In the next weeks, we would like to preview some of them for you today starting with spectroscopy. Stay tuned for more! #ORCA61 #ORCAqc #CompChem #QuantumChem #ChemSky #CompChemSky #NMR #EPR #Raman

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FACCTs @faccts.de · 31/01/2025

Also don't forget the xTB workshop by our friends and close collaborators at the @grimmelab.bsky.social. It will start today 10:00 CET!

xTB Workshop VWSCC 2025 by the Grimme group.

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FACCTs @faccts.de · 24/12/2024

From all of us at FACCTs, we wish you all a wonderful holiday season and a happy new year! #ORCAqc #CompChem #QuantumChem #ChemSky #Christmas #NewYear #holidayseason

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FACCTs @faccts.de · 05/11/2024

The academic version of ORCA 6.0.1 (FACCTs & MPI Kofo) can now be downloaded via the ORCA forum (orcaforum.kofo.mpg.de/app.php/portal). ORCA 6 release talks: youtube.com/@faccts_orca Manual: www.faccts.de/docs/orca/6.... Tutorials: www.faccts.de/docs/orca/6.... #ORCA6 #ORCAqc #CompChem

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FACCTs @faccts.de · 04/11/2024

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 orcaforum.kofo.mpg.de), stay tuned! #ORCAqc #ORCA6 #CompChem #QuantumChem

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FACCTs @faccts.de · 04/11/2024

Come and visit our booth at the GCC 2024 to discuss with Jeroen Koopman and Christoph Riplinger about our services and software solutions.

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FACCTs @faccts.de · 30/10/2024

The GCC 2024 starts next Monday. We hope many of you will join for the presentations by Christoph Riplinger and Jeroen Koopman on different quantum chemical challenges. So save the dates and we'll see you there! #GCC2024 #ORCAqc #CompChem #QuantumChem #ChemSky

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FACCTs @faccts.de · 23/10/2024

The 16th Latin American Conference on Physical Organic Chemistry (CLAFQO-16) starts on November 4th in Florianópolis, Brazil! Bernardo de Souza (@bernadsz.bsky.social) will give a presentation on the new Global Optimizer AlgoriThm (GOAT) in ORCA 6 (FACCTs & MPI Kofo). #ORCAqc #ORCA6 #CLAFQO16

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FACCTs @faccts.de · 18/09/2024

Bluesky now has over 10 million users, and FACCTs was #8,784,428! #ChemSky #ORCAqc #ORCA6

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FACCTs @faccts.de · 18/09/2024

The first Quantum Mechanics in Pharma meeting starts today! Don't miss Christoph Riplinger’s (@faccts-orca.bsky.social) talk about "High-accuracy QM in life sciences: From drug properties to binding modes" at 15.40 (3:40 pm). #ORCAqc #ORCA6 #CompChem #QuantumChem #PharmaChem #QMinPharma24 #ChemSky

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FACCTs @faccts.de · 09/09/2024

Save the date! We (@faccts-orca.bsky.social)will visit the 18th German Conference on Cheminformatics (GCC 2024, @gdch.bsky.social) in Bad Soden am Taunus, Germany from November 3rd to 6th. Visit us to find out more about us and our tools. #GCC2024 #ORCA6 #CompChem #ChemInformatics #ChemSky

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