Sharada Lab
@sharadalab
Computational catalysis group - developing algorithms and frameworks and using dynamics to drive design of molecular, heterogeneous, and photoredox catalysts
ID: 974823753828872192
https://sharada-lab.usc.edu 17-03-2018 01:44:29
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Selin used turnover frequency as a metric to contrast various pathways for CO oxidation and identify the most active metal-support combinations across atomically dispersed catalysts. doi.org/10.1021/acscat… USC Mork ChE&MatSc USC Chemistry USC Materials Consortium ACSPRF ACS Catalysis
Our first collaboration with Megan Fieser towards understanding C-Cl bond activation with Rh complexes for catalytic upcycling of PVC pubs.rsc.org/en/content/art… USC Mork ChE&MatSc USC Chemistry PCCP
We've dissolved bulk solids with the thiol-amine "alkahest" for almost a decade, but how does the chemistry work? Just out in Chemical Science, we elucidate the mechanism of dissolution for ZnO as a model bulk oxide. With DFT support by Sharada Lab pubs.rsc.org/en/content/art…
It was so much fun converting everything we've learned about uncovering mechanisms into a book chapter. Thanks to Heather Kulik the Kulik Group for the invitation! USC Mork ChE&MatSc USC Chemistry USC Materials Consortium doi.org/10.1016/B978-0…
Our first collaboration with Jahan Dawlaty studying excited state complexes and their possible role in photoredox CO2 reduction is now out in J Phys Chem A. Congrats, Kareesa and Ryan! USC Mork ChE&MatSc USC Chemistry USC Materials Consortium pubs.acs.org/doi/10.1021/ac…
We are combining our mechanistic work understanding photoredox cycles with genetic algorithms to drive discovery of organic catalysts for CO2 conversion. Incredible team effort spanning 3 years @uscmork USC Chemistry USC Materials Consortium U.S. National Science Foundation The Journal of Chemical Physics aip.scitation.org/doi/10.1063/5.…
My recent collaboration with the Boxer lab and Austin Atsango at Stanford is published in Nature Chemistry: using a two-directional vibrational Stark probe, we demonstrated the distinct electric field orientations in solutions and an enzyme active site. nature.com/articles/s4155…
Mitra and Sharada lab double feature! We are developing matrix completion algorithms based on random (aip.scitation.org/doi/abs/10.106…) and column (doi.org/10.1021/acs.jc…) sampling to make variational rate coefficient calculations more efficient. DOE Office of Science USC Mork ChE&MatSc USC ECE
High school teachers: Earn continuing education units with our summer online course on molecular modeling USC Viterbi K-12 STEM Center USC Viterbi School
We found that it is tricky to determine preferred mechanisms of CH4 hydroxylation with monocopper-oxygen active sites. Thank you Catalysis Sci & Tech for publishing this work in the Emerging Investigator Series and congrats Zhenzhuo and Jacob! doi.org/10.1039/D2CY01…
We are hiring! USC Mork ChE&MatSc usccareers.usc.edu/job/los-angele…
To commemorate National Chemistry Week, we will conduct a 2-day (Oct 20, 27) workshop for high school teachers on molecular modeling tools as teaching aids. The workshop is free, teachers who complete it will earn 1 continuing education credit (CEU). Please share USC Viterbi STEM
We had an awesome beach cleanup, in collaboration with Wrigley Institute for Environment & Sustainability, USC Annenberg and #AssignmentEarth was a huge success! Our low estimate was 45,689 total items collected, a new record for us!
We had our first So. California excited state proton dynamics meeting, with Prof. Andrew Petit from csufchembiochem , Prof. Ryan Hunt from Loyola Marymount University, Prof Kana Takematsu from Bowdoin College and Sharada Lab here USC Chemistry and USC Mork ChE&MatSc. And many students and postdocs.