Theoretical Chemist & Physicist @Rutgers_Newark
Joined July 2015
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#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!
ALT https://www.quantum-multiscale.org/
Michele Pavanello retweeted
🖥️ Hackathon mode ON! 🖥️
👉 quantum-multiscale.org/hacka…
Ethan, Xuanyu, Xinmao, and Zitong are spending the week coding side by side with the @MikPavanello and @OAndreussi groups and the broader Quantum Multiscale community as part of our joint @NSF project.
Our group is currently working on #GPU acceleration of #MBX electrostatics and the integration of #MBX with the #ELECTRODE package in #LAMMPS. These developments will further expand the scope of #datadriven #manybody simulations, enabling realistic modeling of increasingly complex molecular systems and electrochemical interfaces. Stay tuned! 🏄♀️
#MBX resources:
✅ mbxsimulations.com
✅ github.com/paesanilab/MBX
✅ groups.google.com/g/mbx-user…
@UCSanDiego @UCSDPhySci @UCSDChem @HDSIUCSD @SDSC_UCSD @Rutgers_Newark @BoiseState
What an awesome hackathon! It just ended.
I am grateful to @NSF for support and for helping fostering a community of method developers. Coding Physics, Chemistry and Material Science methods was fun, exciting and meaningful.
Hope we can do this again. Our community needs it!
Michele Pavanello retweeted
High School student Chris presenting his work on orbital-free DFT of aluminum in the Pavanello group at the ACS SEED symposium
Our DFT & TDDFT lectures from mini @ASESMA 2026 in Accra are now online!
👉 Hands-on with QEpy!
📖 Lecture notes on the Q-MS website: quantum-multiscale.org/schoo…
🌍 School info: ug.edu.gh/physics/node/192
#compchem #physics
Our arxiv preprint is already making a splash! Number 2 out of 57 for March submissions in chemical physics! #compchem
Michele Pavanello retweeted
Thank you, Prof Adebayo from @FUNAABNigeria for visiting @PhysicsRutgers ! We enjoyed spending time with you, discussing electronic structure theory and learning about FUNAAB. Hope you come back soon! @RutgersResearch @Rutgers_Newark @RutgersSASN
A constant reminder that we need a strong higher #education to train a creative workforce. Holding a #PhD will make the difference between having a job and being on welfare.
CEO: AI could cause 'serious employment crisis'
foxnews.com/video/6373601741… #FoxNews
Very happy to have hosted Prof Adebayo in my lab for the past 2 weeks. Grateful to a @APSphysics Simon's foundation grant for funding and for helpiung us initiate a fruitful collaboration between @Rutgers_Newark, @RutgersSASN and @FUNAABNigeria based on science. #ScienceRules
Michele Pavanello retweeted
Prof Adebayo's visit to @RutgersGlobal. L to R: @MikPavanello, Prof Adebayo and VP Rick Garfunkel. Lots of opportunities for interaction between @Rutgers and @FUNAABNigeria. Please, stay tuned!
Looking for a #PhD in #compchem or #physics?
Join us! DM if interested.
jiscmail.ac.uk/cgi-bin/wa-ji…
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/1F…
#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/acs…
#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/publicati…
Michele Pavanello retweeted
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/
Michele Pavanello retweeted
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?
ALT https://royalsocietypublishing.org/doi/pdf/10.1098/rspa.1930.0183