Stefano Battaglia

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: rdcu.be/d4b2s

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 pubs.acs.org/doi/10.1021/ac… #compchem

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 quantiki.org/position/postd…

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

I am finally happy to share the good news that I will start my own group as a @DRESDEN_concept research group leader jointly at @CASUSscience / @HZDR_Dresden and @Sca_DS / @tudresden_de in Dresden and Görlitz! Looking forward to the opportunity and stay tuned for job openings!

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 👉 nccr-marvel.ch/highlights/mac…

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!

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: rdcu.be/d4b2s

🦖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

@historyinmemes Yeah, because the rest is mountains 😂😂

One third of the population of Switzerland lives within 5 kilometers of the main train line crossing the country.

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

“Combining CASSCF with MBE-FCI to treat large active spaces” • Ivan Giannì presenting at the “European Summerschool in Quantum Chemistry” #esqc24 #moleconews #casscf #theoreticalchemistry #compchem #summerschool #molecolab

Introducing a new method for simulating continuous-space systems with the help of quantum computers that does not rely on any form of discretization: arxiv.org/abs/2409.06415 w/ @pgabbo0 @gppcarleo at @cqs_lab @QSECenter_EPFL @EPFL_en See 👇 for key points.

@tomaspueyo I like how Geneva aligns with Tijuana 😎

Here are the most FASCINATING facts I could find about Mexico: 1. Mexico is so huge it’s hard to comprehend. You can fit 30 European countries in Mexico and still have room to spare

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: chem.uzh.ch/de/study/these…

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: chem.uzh.ch/dam/jcr:d6de35… If you know interested students, please forward this link to them. 🙏 Retweets are much appreciated!

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

[2407.08859] "Best" iterative coupled-cluster triples model: More evidence for 3CC #compchem arxiv.org/abs/2407.08859

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!

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

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.

#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

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