Katja Csizi

PostDoc @IBMResearch, Switzerland, former PhD student in #CompChem at @ETH. private account. Views are my own.

[CORENET @CORENET_EU]

🌟Exciting news! #CORENET featured in the renowned magazine @HorizonMagEU with other groundbreaking projects as @CLASSY_H2020 for the work in #SustainableChemistry!🌍

🧬Discover more #CORENETnews and read the full article👉https://t.co/iUiUwwDT1K

#HorizonEU #ResearchInnovation

[Robin Feldmann @RobinFeldmann95]

Our latest work on multireference coupled cluster methods has been published in JCTC!

We’re excited to have come very close to achieving our goal of developing a method that matches the cost and accuracy of CCSD(T).

https://t.co/R3Abik454O

[IMPS, ETH Zurich @IMPS_ETH]

Prof. Markus Reiher’s group at @ETH Zurich has recently published two methods to explore chemical reactivity computationally in new ways.

[Katja Csizi @KatjaCsizi]

Also, many thanks to the reviewers for their constructive reviews!

[Katja Csizi @KatjaCsizi]

Happy to share that our work on reaction network exploration in nanoscale models employing QM/MM methods is published in @NatureComms! 🎉
You can check out the paper here:
https://t.co/7Zdy1Mm40f

Big thanks to @_Miguel_Steiner, it was fantastic working with you on that project!

[Katja Csizi @KatjaCsizi]

If you are interested in software details, check out the SCINE Github Repo:
https://t.co/p9oSFVR8Ql
and the recent pre-release in our accompanying Zenodo repository: https://t.co/EKDEjQxydt
- and our recent software papers https://t.co/EKDEjQxydt
and
https://t.co/8THljMJd8y

[Ahmad Mansour @AhmadMansour__]

Danke 🙏

[Katja Csizi @KatjaCsizi]

@Misha_Joel Absolut unterirdisch Herr Zamperoni @Ingo_Zamperoni . Und für diesen Schwachsinn muss man GEZ zahlen.

[Dr. Eli David @DrEliDavid]

🚨 Breaking: British 🇬🇧, American 🇺🇲, Israeli 🇮🇱, Jordanian 🇯🇴, and Saudi Arabia 🇸🇦 air forces are intercepting drones over Jordanian airspace right now.

[CORENET @CORENET_EU]

📍Save the date: 26th January (10:30–11:30)
🖥️#CORENETwebinar "𝐌𝐢𝐜𝐫𝐨𝐟𝐥𝐮𝐢𝐝𝐢𝐜𝐬 𝐚𝐩𝐩𝐥𝐢𝐞𝐝 𝐭𝐨 𝐭𝐡𝐞 𝐬𝐭𝐮𝐝𝐲 𝐨𝐟 𝐂𝐡𝐞𝐦𝐢𝐜𝐚𝐥 𝐑𝐞𝐚𝐜𝐭𝐢𝐨𝐧 𝐍𝐞𝐭𝐰𝐨𝐫𝐤𝐬"
🧠Join us online and enjoy the programme!
✍️𝘙𝘦𝘨𝘪𝘴𝘵𝘦𝘳 𝘩𝘦𝘳𝘦: https://t.co/q42ugEKk2k

[Robin Feldmann @RobinFeldmann95]

Just published our latest work on pre-Born-Oppenheimer wave functions!
Actually, in a pure state, all molecules are spherically symmetric!
We showed how to recover the spherical symmetry using projection operators.

https://t.co/WCJkUMFLhL

[Peter Mueller @PeterMueller9]

Die Sicherheit #Israels ist deutsche Staatsräson, sagt der Kanzler. Doch was heißt das konkret? Bislang gelingt es der Polizei in Berlin-Neukölln und Duisburg gerade mal mit Mühe und Not, jubelnde Pro-Hamas-Demonstranten in die Schranken zu weisen. https://t.co/VCCLIRot4c

[Katja Csizi @KatjaCsizi]

Extremely excited to share our work on interactive reaction exploration with system-focused QM/MM models: The Quantum Magnifying Glass!
Huge thank you especially to @_Miguel_Steiner for this great collaboration. Make sure to check it out - new SCINE software release coming soon!

[Jan Unsleber @Nabbelbabbel]

Automated CAS selection for DMRG? Open-source and free? Yes please! AutoCAS v2.0.0 has had its Python release a few days ago.
Well done @Max_Moerchen. Find it on PyPI and at https://t.co/fMLvg5dOj3
#compchem cc: @QCstein

[The Nobel Prize @NobelPrize]

BREAKING NEWS:
The Royal Swedish Academy of Sciences has decided to award the 2022 #NobelPrize in Physics to Alain Aspect, John F. Clauser and Anton Zeilinger.

[Jan Unsleber @Nabbelbabbel]

Chemoton 2.0.0 now in print.
Chemoton 2.1.0 feature fixed, soon to be released (a week or two).
A good end to a week. https://t.co/cOqNCXmEIC #compchem #MarkusReiher

[Katja Csizi @KatjaCsizi]

Excited to be in #Vancouver for this year’s @watoc2020! Go check out our posters from the #MarkusReiher group @ETH at today’s poster session! Looking forward to great discussions!

[Jan Unsleber @Nabbelbabbel]

Chemoton has made it onto GitHub! v2.0.0 is also on the PyPI.
Its BSD-3 licensed, so have fun with it everyone!

Of course a huge thanks to everyone involved. This has been a long time in the making, and we are already preparing v2.1.0.

https://t.co/M0TKDRze8P #compchem

[ChemEurJ: Chemistry - A European Journal @ChemEurJ]

The Apparently Unreactive Substrate Facilitates the Electron Transfer for Dioxygen Activation in Rieske Dioxygenases (Hofstetter, Reiher et al.) @ETH_en #OpenAccess https://t.co/o8tjuVQhpO