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Today we were excited to host the high school students from our MAP team (education.sdsc.edu/studenttech/ma…) for an in-person visit to our lab and a tour of the San Diego Supercomputer Center! 🖥️ From running #MachineLearning simulations to tracing the history of #HPC at UC San Diego — and

Exciting time at the #ACSSA Annual Undergraduate Research Symposium! 🎉 Zoe and Alison did a fantastic job presenting their posters on data-driven many-body simulations of biomolecules and organic molecules.🖥️ Great science all around!✨ UC San Diego UC San Diego School of Physical Sciences UCSD Chem Biochem

Exciting day at Pacific Northwest National Laboratory for the Interfaces for Energy and the Environment conference (pnnl.cventevents.com/event/Interfac…)! Our amazing #PhD student Richa presented her poster on #datadriven #manybody simulations of vibrational #SFG spectra at the air/ice ❄️ and graphene/water 🌊interfaces.

Francesco gave a keynote talk at Pacific Northwest National Laboratory’s Interfaces for Energy and the Environment conference! 🎤 He shared insights from over a decade of #datadriven #manybody simulations of #water across all phases with MB-pol — from clusters 🫧 to liquid water 🌊 to ice ❄️ — and how they

Today was the final poster session for this year’s MAP program (education.sdsc.edu/studenttech/ma…), and our high schoolers (Olivia, Neha, Kellen, Siddharth, Shiven, and Nathan) crushed it! 🏄‍♀️ From presenting their research on #MachineLearning potentials for salt solutions to discussing

🎉 Huge congratulations to Dr. Hilliary Frank, who aced her PhD defense today! 🎓 From simulating #MOFs for atmospheric #WaterHarvesting and #CarbonCapture to pool games and lab celebrations, Hilliary’s #PhD journey has been nothing short of inspiring for all of us! 🏄‍♀️ We’re

☀️🎉 Wrapping up the year with a beach party at La Jolla Shores! 🌊🌴 Grateful to be part of such a brilliant crew of pirates and proud of everything we’ve accomplished together over the past 12 months. We look forward to another year of discoveries, laughter, and camaraderie!

🚨 New paper alert! 🚨 Our latest study on #MOFs has just been accepted in Chemical Science! 🎉 👉 pubs.rsc.org/en/content/art… In collaboration with Omar Yaghi’s group at UC Berkeley, we used molecular simulations 🖥️ to unravel how alkali metal ions (Li⁺, Na⁺, and K⁺) are taken

Now out in official format in Chemical Science! 👉 doi.org/10.1039/D5SC01… Big thanks to U.S. Department of Energy for funding and to NERSC for computational resources! UC San Diego UC San Diego School of Physical Sciences UCSD Chem Biochem Halıcıoğlu Data Science Institute San Diego Supercomputer Center

🎉 The end of the academic year at UC San Diego wouldn’t be complete without the traditional Watermelon Drop from Urey Hall! 🍉💥 Started in 1965, this beloved tradition marks the "gravitational acceleration of summer" as a watermelon meets its spectacular end from the 7th floor.

🎉 Huge congratulations to Etienne and Yuanhui on successfully defending their PhD theses today! 🎓 Etienne developed a density-corrected #manybody formalism to elevate the accuracy of #DFT-based simulations by mitigating density-driven errors. Yuanhui explored the electronic

🚨 Hot off the press! 🚨 Can we simulate proteins with chemical accuracy? Yes — at least the first steps are now possible! 🖥️ 👉 doi.org/10.1021/acs.jc… In our latest paper just appeared in JCIM & JCTC Journals, we show that it's now feasible to model polypeptides, like polyalanine,

🎓 A big day for our fantastic #PhD students Hilliary, Yuanhui, Etienne, and Ruihan, who were hooded today at the Graduate Commencement by our super postdoc, Dr. Saswata Dasgupta! 🎉 So proud of everything they’ve accomplished and excited for what comes next! 🏄‍♀️ UC San Diego