Michele Pavanello

#QuantumMultiScale is out! #CompChem #Physics #MaterialScience 💻 quantum-multiscale.org 👉 Q-MS develops sustainable multiscale modeling software built on rigorous theoretical foundations based on quantum mechanics and data-driven approaches. 👉 Thanks to NSF for funding!

Looking for a #PhD in #compchem or #physics? Join us! DM if interested. jiscmail.ac.uk/cgi-bin/wa-jis…

Join us for mini-ASESMA. If you are an African student, do not hesitate to DM me! Check it out here docs.google.com/forms/d/e/1FAI…

#Pacifichem2025 has been great so far. So many ideas and new information. Glad I came. Thanks to Dmitri and Svetlana for organizing a great symposium!

ML for electronic structures is getting closer to replacing conventional solvers. It's a reality and it's only a matter of time. 👉#compchem, check out our newest contribution where we show ML models reach SCF-threshold accuracy pubs.acs.org/doi/10.1021/ac…

#CompChem colleagues: If you like me believe that #MachineLearning will revolutionize electronic structure methods 👉 Go ahead and submit your latest idea to @JChemPhys ! publishing.aip.org/publications/j…

Our very owh Prof Sheehan Ahmed delivered a Physics Seminar "Astrophotography Made Easy" #Physics @RutgersSASN youtu.be/RJ2qT0Yr7PM

Early-bird registration for Chemical Compound Space Conference 2026 is now open until Nov 27, 2025! Speakers: Yours truly, Anatole v. Lilienfeld, Lee Cronin, Rocio Mercado, Helge Stein, Joshua Schrier, Anya Gryn'ova… and more! #compchem ccsc2026.github.io

Axel Dieter Becke, one of the most prominent DFT pioneers, has passed away on October 23, aged 72. RIP

#compchem question: is this the first ever Configuration Interaction (CI) calculation?

🚨 New paper alert! 👉 doi.org/10.1021/acs.jc… Led by the Pavanello group, we combined subsystem #DFT with our MB-pol #datadriven #manybody #water potential to push the frontiers of multiscale modeling! 🖥️ Our analyses demonstrate how an accurate #quantum embedding scheme integrated with MB-pol #water achieves chemical accuracy in solution 🌊, thus bridging the gap between full #QM and #MM simulations. 🏄‍♀️ Exciting collaboration with @MikPavanello and @MateriaLab_BSU groups! Big thanks to @NSF for funding! @UCSanDiego @UCSDPhySci @UCSDChemBiochem @HDSIUCSD @SDSC_UCSD

Wonder how to push #QMMM to chemical accuracy? ➡️ Ab Initio is the only way! Thanks Jessica, Xin, Xuecheng and Marc for this rigorous and impactful work! Thanks @PaesaniLab @MateriaLab_BSU for collaborating, and @NSF for funding! pubs.acs.org/doi/10.1021/ac…

Join us at the @Rutgers_Newark undergraduate open house #today! Come learn about our awesome physics program - from teaching to applied physics, to theoretical AMO physics we are here to please any #STEM minded student!

🌟 Celebrate rising stars in @ACSPHYSDivision! 🌟 Register now for the 2025 PHYS Experiment & Theory Graduate Student Award Symposium showcasing cutting-edge research in physics, chemistry & computation. Friday, Oct 3 | 2–5 PM EDT 🔗 us06web.zoom.us/webinar/regist… #compchem

Join us to celebrate the 8 finalists of the 2025 ACS-PHYS Graduate Student Awards! Register 👉 tinyurl.com/acsphysgrad #compchem #chemistry This Friday, Oct 3 (2–5 PM EDT)

Cutting edge electronic structure methods discussed at the Rutgers Theory Symposium! #Physics #Chemistry #compchem youtube.com/playlist?list=…

✨ What a great start of the week with the QDMS School at @UCSanDiego! 👉 paesanigroup.ucsd.edu/qdms.html We’ve kicked off a full week of talks and hands-on training on #quantummechanical, #datadriven, and #multiscale simulations of #water, #ions, #biomolecules, and #materials. 💻 Huge thanks to @NSF for supporting our school and helping train the next generation of computational scientists. 🚀 @UCSDPhySci @UCSDChemBiochem @HDSIUCSD @SDSC_UCSD

PRG takes @UCSD and @PaesaniLab by storm! The awesome QDMS school is in full swing now. @MateriaLab_BSU Thursday is the Rutgers Team turn to teach @QuantumESPRESSO , QEpy, eDFTpy and much more!

Are you a recent #PhD graduate in #compchem ? Or will you graduate in Fall 2025 / Spring 2026? Consider applying to the 2025 @ACSPHYSDivision Theory graduate awards! Applications welcome! Apply here ➡️ forms.gle/vjLevQcL14A2Uj…