
Paesani Lab
@PaesaniLab
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Working at the intersection of quantum chemistry, statistical mechanics, and computer/data science at @UCSanDiego. Account managed by all group members.
La Jolla, CA
Joined October 2017
π Big news from our group!. Our former #PhD student Teri Lambros is kicking off his independent career as an Assistant Professor of Physics at CSU-Fullerton (@csuf)! π. In our group, Teri pushed QM/MM approaches with #datadriven #manybody potentials and extended our #manybody
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π₯€ Today we had a special farewell boba tea with Dr. Ruihan Zhou! πββοΈ. Ruihan took our #datadriven #manybody potentials from small molecules all the way to peptides 𧬠, opening the door to protein simulations with coupled-cluster accuracy π₯. A leap toward predictive,
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RT @UCSDChemBiochem: π Congrats to Prof. Vicki Grassian on her #Festschrift in @JPhysChem A! This special issue celebrates her trailblazingβ¦.
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RT @UCSDChemBiochem: New from @MikeBurkartUCSD in @NatureComms: dual crosslinking + cryo-EM capture M. tuberculosis mycocerosic acid synthaβ¦.
nature.com
Nature Communications - Bacterial Type I polyketide synthases are responsible for producing both lifesaving medicines and virulence factors, yet their stepwise mechanism remains elusive. Here,...
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Big congratulations to Prof. Josh Figueroa for winning the 2026 @AmerChemSociety F. Albert Cotton Award! π An amazing honor that highlights his fantastic work in organometallic chemistry. @UCSanDiego @UCSDPhySci @UCSDChemBiochem.
Congratulations to Prof. Joshua Figueroa, recipient of the 2026 F. Albert Cotton Award in Synthetic Inorganic Chemistry from @AmerChemSociety! This prestigious ACS National Award recognizes his groundbreaking contributions to organometallic chemistry. @UCSanDiego @UCSDPhySci
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Big congratulations to Prof. Akif Tezcan on the 2026 @AmerChemSociety Alfred Bader Award! π Well-deserved recognition for his creative work bridging chemistry and biology. @UCSanDiego @UCSDPhySci @UCSDChemBiochem.
Congratulations to Prof. Akif Tezcan, recipient of the 2026 Alfred Bader Award in Bioinorganic or Bioorganic Chemistry from @AmerChemSociety! This prestigious ACS National Award recognizes his pioneering research at the interface of chemistry and biology. @UCSanDiego @UCSDPhySci
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π¨ Just published in @ChemMater! π¨. What really controls stacking and electronic properties in 2D #COFs? Spoiler: itβs not simple donor vs acceptor chemistry. π€―. π In our study, we show that:.β
van der Waals interactions set the preference for slipped
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Congrats! π.
Huge congratulations to Prof. Julia Stauber on receiving a prestigious @NIH MIRA award for her project βPrecision, Functional Glyconanoassemblies through Supramolecular Designβ! Stay tuned for more exciting science!. @UCSanDiego @UCSDPhySci
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π Huge congratulations to Dr. Ruihan Zhou on a stellar #PhD defense!. Ruihan took our #datadriven #manybody potentials from small molecules all the way to peptides π§¬, opening the door to protein simulations with coupled-cluster accuracy π₯. This is a leap toward predictive,
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π¨ New preprint on @ChemRxiv! π¨. Can we model #biomolecules 𧬠in #water π with chemical accuracy? Weβre getting there! πββοΈ. π In this work, we extend our #datadriven #manybody MB-nrg formalism to model #biomolecules in MB-pol #water, bringing CCSD(T)
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Out in @PNASNews: Szukalo, Giovambattista & Debenedetti use DP_MBpol, our #machinelearning DNN@MB-pol model trained on MB-pol (, to explore glassy #water and its transformations between low-density (LDA) and high-density (HDA) forms. π. π
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βοΈ The #PaesaniGroup pirates have landed at the GRC Chemistry & Physics of Liquids (!. Richa, Xuanyu, Henry, and Suman are ready for a week packed with liquid-state science and good discussions. If youβre here too, come say hi during the poster sessions!
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