So cool to see my research highlighted with its important implications for global water access. Check out a feature of my project from @ChemistryWorld!
🚨 Hot off the press! Excited to share our latest work in @ChemicalScience on #water harvesting 🫧 using #MOFs! 🎉
👉 https://t.co/vhkQkKYTpa
Led by former #PhD student and now professor @KellyHunter19, our study leverages advanced #compchem simulations 🖥️ with our MB-pol #datadriven #manybody potential of #water 🌊 to decode the mechanisms of #water adsorption in #MOFs, one molecule at a time💧. Our analyses reveal how swapping out the halide atoms of the frameworks modulates the adsorption process by templating the formation of initially disconnected and then extended hydrogen-bond networks as #water molecules fill the #MOFs pores. 🏄♀️
We hope that our molecular-level details connecting structural properties with #infrared spectra can guide the design of tailored #MOFs with higher #water adsorption capacity for #water harvesting applications in #water-scarce regions.🌍
Stay tuned, stay hydrated, and use our #datadriven #manybody software for realistic #compchem simulations of #water and beyond! 😎
👉 MBX: https://t.co/eY2zrSwbKd
👉 MB-Fit: https://t.co/6QCCDtxGdj
Many thanks to @NSF for funding this research and @ACCESSforCI for CPU time!
@UCSanDiego@UCSDPhySci@UCSDChemBiochem@HDSIUCSD@SDSC_UCSD
Thrilled to unveil the mechanisms of atmospheric #water harvesting 🫧 in Ni2X2(BTDD) #MOFs through realistic #compchem simulations using our MB-pol #DataDriven#ManyBody potential!
👉 https://t.co/MASuPi6vz2
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I am so excited to officially begin as a Visiting Assistant Professor of Chemistry at @PLNU! Already loving my new office and the ocean view from it, and I can’t wait to begin teaching soon! 🌊⚗️🔬
Dr. @KellyHunter19 said yes! Under the stars there is no brighter star than she is! So excited to begin this new life journey with the best partner anyone could ask for. Nothing is impossible with you by my side.
Just like that, my final day in the @PaesaniLab has come to a close. It’s been a fun and wild ride for the past five years, but I wouldn’t change a thing about my research, lab mates, or a day in @UCSDChemBiochem. Thank you for all the memories, now it’s on to the next adventure!
It’s been an honor to be in the @PaesaniLab for the past five years and to work with Francesco, Kartik, and Teri! I couldn’t have joined a better lab, thank you for all the amazing memories!
It happened!! I successfully defended my thesis! A HUGE thank you to Francesco and the whole Paesani lab for all their support over the past five years! I had the absolute best experience being a #pirate in the @PaesaniLab! #compchem
Cheers Dr. Hunter! Kelly has successfully defended her thesis titled "Theoretical Modeling of Water Confined in Metal-Organic Frameworks for Atmospheric Water Capture". Kelly is a superstar and has made great contributions to #compchem. A true #pirate! We wish you all the best!