Stefano Battaglia

Professional electronic structure theorist: married with wave function, cheating with the density. 💻 OpenMolcas & CP2K developer #compchem

[Stefano Battaglia @stefabat]

I'm very excited to share that our latest work has been published! Together with @mrossinek, @Vladimir_Rybkin, @ITavernelli and J. Hutter, we have developed a platform to easily implement embedding approaches between CP2K and @qiskit. Read it here: https://t.co/0Gt27NyIXV

[Stefano Battaglia @stefabat]

Our latest work on tuning the properties of COFs has been published in @JPhysChem Letters! 🤩🙌
Huge thanks to Michelle (@michelle-ernst.bsky.social) for leading the effort and to Jürg for the support!
The article is available open access at
https://t.co/AcUDizTTXr
#compchem

[Quantiki @quantiki]

Postdoc opening in Quantum Computing for Quantum Chemistry at QuantumFutur Junior Research group, hosted by the Helmholtz-Zentrum Dresden-Rossendorf lead by Werner Dobrautz @dobrautz

#QuantumComputing #QuantumSimulation #QuantumChemistry

https://t.co/bafKsFLddU

[Stefano Battaglia @stefabat]

@dobrautz @DRESDEN_concept @CASUSscience @HZDR_Dresden @Sca_DS @tudresden_de Congrats!!

[NCCR-MARVEL @nccr_marvel]

MARVEL scientists at @psich_en @EPFL_en and @UZH_en have used machine learning to speed up the calculation of spectral properties of materials. Their study is out in npj Computational Materials 👉 https://t.co/rH8kgoiqrj

[Stefano Battaglia @stefabat]

Big thanks go to @nccr_marvel for funding and support! The article is available open access on @Nature_NPJ computational materials, if you have questions, please don't hesitate to contact me!

[Stefano Battaglia @stefabat]

I'm very excited to share that our latest work has been published! Together with @mrossinek, @Vladimir_Rybkin, @ITavernelli and J. Hutter, we have developed a platform to easily implement embedding approaches between CP2K and @qiskit. Read it here: https://t.co/0Gt27NyIXV

[Pierre-Francois Loos @TitouLoos]

🦖Antoine's new paper on the particle-particle sector of the Bethe-Salpeter equation to target double IPs and EAs. 🦖Found to be almost as good as DIP-EOM-CCSD with a reduced cost! 🎇Collaboration with Pina Romaniello and Xavier Blase! @LCPQ_UMR5626 @pterosor #compchem

[Stefano Battaglia @stefabat]

@historyinmemes Yeah, because the rest is mountains 😂😂

[Stefano Battaglia @stefabat]

@MolecolabPisa And I enjoyed Ivan's explanations very much! Keep up the good work! 💪

[Friederike Metz @frmetz]

Introducing a new method for simulating continuous-space systems with the help of quantum computers that does not rely on any form of discretization: https://t.co/qVI8suM5P8

w/ @pgabbo0 @gppcarleo
at @cqs_lab @QSECenter_EPFL @EPFL_en

See 👇 for key points.

[Stefano Battaglia @stefabat]

@tomaspueyo I like how Geneva aligns with Tijuana 😎

[Stefano Battaglia @stefabat]

Turns out that the above link might not work on mobile, so here is a mobile-friendly link to the page with all open theses: https://t.co/3nCRoeMA1b

[Stefano Battaglia @stefabat]

We have a project in the Hutter group @UZH_ch about hybrid quantum-classical embedding that is suitable for a master thesis in chem/phys/materials: https://t.co/awRZ1ves9y
If you know interested students, please forward this link to them. 🙏
Retweets are much appreciated!

[Stefano Battaglia @stefabat]

@TitouLoos Nice article, I'm looking forward to read the SeQuant paper they mention

[Stefano Battaglia @stefabat]

If you are at the EuChemS conference, tomorrow I'm gonna talk about quantum embedding, quantum computing and materials simulations at 13:15 in Liffey meeting room 3, during the computational session number 10. I'm looking forward to seeing you there!

[Stefano Battaglia @stefabat]

Just arrived to Dublin for the 9th EuChemS conference. Is there an official hashtag?

[Pavlo Dral @PavloDral]

The easiest way to start integrating #AI in your #compchem research is to take my hands-on mini-course. Now online in both English and Chinese!
The course treats AI and quantum chemical methods on equal footing. Using AI methods is now as easy as choosing DFT method in input.

[Pierre-Francois Loos @TitouLoos]

#compchem job 🚨 from @FromagerEmmanu1: A two-year post-doc position is now open in the team «Laboratoire de Chimie Quantique» within the Institute of Chemistry in Strasbourg (UMR7177). The starting date is expected to be October 1st, 2024. 1/9

[Stefano Battaglia @stefabat]

Looking forward to hear the thoughts of the great Jean-Paul Malrieu