Computational Engineering at Lemnisca | Ex-@NorthwesternU | PhD from @PurdueChemE | B. Chem. Engg. from @ICTMumbai1933 🇮🇳

Bengaluru, India
Joined July 2018
In this work, we go beyond Cu catalysts, and explore oxide-derived Co catalysts for producing long-chain hydrocarbons! The experiments from @catalysis_eth have been followed up with simulations at @TheorHetCatICIQ, pin-pointing the role of polarized sites at the interface.
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We recently bid farewell to @Kaustubh_Savant over a hearty group dinner. We wish him luck in all future endeavors! This also provided us with an opportunity to welcome and introduce new members, Brady, Masa, and Dhruv, to the group.
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Congratulations to Hee-Joon and Ankita (@Ankita_Morankar) for their latest work in @JPhysChem on developing a theory for the solvation of aqueous-phase reaction intermediates based on structure sampling facilitated by ab-initio molecular dynamics (AIMD). pubs.acs.org/doi/full/10.102…
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Prof. Greeley has been recognized for excellence in teaching by @PurdueChemE. Proud to have him as our advisor!
Congratulations to our 8 Chemical Engineering faculty members, recognized by @PurdueEngineers for their outstanding dedication to teaching students in the fall 2023 semester! engineering.purdue.edu/ChE/n…
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Excited to share our latest work on the computational investigation of the potential-dependent structural evolution of active sites in Fe-N-C catalysts for electrochemical oxygen reduction in PNAS (@PNASNews) by Ankita (@Ankita_Morankar). pnas.org/doi/abs/10.1073/pna…
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Gaurav (@ChemAndCode) will present two talks. The first on active learning for discovery of multicomponent alloys (Mon 5:18pm in Florida Ballroom C) and the second on designing high-entropy alloy catalysts for oxygen reduction (Tue 3:50pm in Plaza International Ballroom E)
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Congratulations to Kunal from @NikollaLab and Alex (@alex_vonGunten) for their latest supercharged publication on the influence of the mechanism of discharge product formation on the performance and stability of sodium-air batteries in @ACSEnergyLett. pubs.acs.org/doi/10.1021/acs…
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Congratulations to Gaurav (@ChemAndCode) for winning the Best Overall Talk award in the Purdue ChE Graduate Symposium. Thanks to @GSO_ChE_Purdue and @PurdueChemE for the opportunity to present in a wonderful symposium this year.
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We are at the @enthought reception making new friends and enjoying amazing food and drinks 🍹✨. Thanks Enthought for hosting this amazing event 🎉
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Gaurav (@ChemAndCode) will present his talk on "Investigating the Effect of Near-Surface Structure and Composition on the Catalytic Activity of High-Entropy Alloys" on Friday at 10 am in 551 AB. Link to abstract: nam.confex.com/nam/2023/meet…
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Gaurav (@ChemAndCode) will present his work on developing an active learning workflow to systematically explore complex structural and compositional spaces for alloy catalysts in the "General Catalysis" session. Day: Wednesday, Time: 5:00pm
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Congratulations @thepdbguy for winning the 2022 SCS Science Image Challenge award!
This week we celebrated the winners and finalists at the 2022 SCS Science Image Challenge award ceremony! 📸 🏆 Check out these images when you @IFlyCU! ✈️ Gallery ▶️ go.illinois.edu/2022SCSImage…
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In a fascinating deep dive, @ChemAndCode explores the kinetic theory of gases, bringing together physics and machine learning to simulate and visualize molecular collisions. buff.ly/3XfQ3PR
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Congratulations to Purva and Luke (@LukePretzie) for their well-deserved success in the qualifying exam. Can't wait to see the new heights that they scale next!
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We celebrated Yinan's (@YinanXu2) successful thesis defense and PhD degree completion over a nice, cozy group dinner. We bid him farewell and wish him good luck for all future endeavors!
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Congratulations to Ankita Morankar (@Ankita_Morankar ) for winning an award for the Best Talk at the Fuel Cells Gordon Research Seminar. She also got the opportunity to present the talk at the following Fuell Cells Gordon Research Conference @GordonConf.
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