Paesani Lab
@paesanilab
Working at the intersection of quantum chemistry, statistical mechanics, and computer/data science at @UCSanDiego. Account managed by all group members.
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https://paesanigroup.ucsd.edu 30-10-2017 20:35:04
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Guess who came back to visit us this week? Our very own Marc Riera (Marc Riera Riambau๐ ), who couldn't resist stopping by to check out the new version of #MBX! ๐ Stay tuned... ๐ UC San Diego UC San Diego School of Physical Sciences UCSD Chem Biochem Halฤฑcฤฑoฤlu Data Science Institute San Diego Supercomputer Center
Yesterday, our pirates visited UCSD Engineering to explore the 'Fallen Star' (stuartcollection.ucsd.edu/artist/suh.html) from the Stuart Collection. Touring inside the house, they discovered the need to adjust both physically and mentally to embrace a whole new perspective! ๐๐ #UCSD #StuartCollection
๐จ We just wrapped up a comprehensive review of our #datadriven #manybody MB-pol potential, celebrating over a decade of realistic #compchem simulations ๐ฅ๏ธ of #water! ๐ Read our preprint on ChemRxiv: ๐ doi.org/10.26434/chemrโฆ MB-pol isn't just another model ๐ โ it's a
๐จ Update on our Summer 2024 #DataDriven #ManyBody Tour ๐จ Our undergraduate star ๐, Benjamin, absolutely nailed his presentation on ion hydration ๐ at the Summer Research Conference at UC San Diego! Using advanced #compchem simulations ๐ฅ๏ธ, he investigated nuclear quantum
๐จ Update on our Summer 2024 #DataDriven #ManyBody Tour ๐จ Our first foray into de novo protein design! Cianna has combined simulations with deep learning tools to design protein binders for human EGFR. Five of her designs will be tested by Adaptyv Bio as part of their protein
๐จ Update on our Summer 2024 #DataDriven #ManyBody Tour ๐จ Saswata (Saswata Dasgupta) presents the results of our #compchem simulations ๐ฅ๏ธ of #water autoionization ๐ using a #machinelearning potential trained on density-corrected SCAN at the #2024QuantumMultiscaleHackaton at
Congratulations to all the UC San Diego U.S. National Science Foundation CAREER awardees, including UCSD Chem Biochem's Fleur Ferguson. Her work on targeted protein degradation will help us learn more about the treatment and prevention of degenerative diseases. bit.ly/3ADCRyi
Today Dr. Jinggang Lan (Jinggang Lan ) gave us a visit to talk about his work on the solvated electron. Check out his paper: nature.com/articles/s4146โฆ It was nice to meet you Jinggang! And good luck on all your future endeavors!
Our two 2nd year graduate students also introduced our lab at the Incoming Graduate Student Orientation poster session. Way to go Suman (Suman Saha ) and Jiwon (Jiwon Huh ), and hello Fall 2024 & all incoming students! ๐๐ UC San Diego UCSD Chem Biochem UC San Diego School of Physical Sciences Halฤฑcฤฑoฤlu Data Science Institute