Computational Catalysis Center (@Puneet Gupta)

The Chemistry Department at the Indian Institute of Technology, Roorkee, is accepting PhD applications for the autumn semester 2025-2026. In case you are interested in our computational chemistry research (lnkd.in/gWaH5Af6), write to puneet.gupta@cy.iitr.ac.in

@VishalGovindRao @IITKanpur Congratulations for this success!

Promoted to Associate Professor, selected for the Class of 1973 Young Faculty Fellowship, and honored with the Director’s Letter for teaching CHM111 to 620+ B.Tech students. Grateful for these milestones, but the real joy is in the journey! 🚀🎓 @IITKanpur

It was a great pleasure to host students from @NITUttarakhand to our Catalysis Lab @iitroorkee for two days training in Computational Catalysis.

Picture of my research group @iitroorkee with Prof. Maiti @maiti_iitb. Thank you Prof. Maiti @maiti_iitb for visiting @iitroorkee and delivering an exciting research talk in our department.

The Department of Chemistry, IIT Roorkee, has announced the list of candidates shortlisted for the Ph.D. program in Chemistry for the Spring 2025 semester. Please visit the department website to check your name. cy.iitr.ac.in

Applications are invited for admission to PhD programme at IIT Roorkee. admission.iitr.ac.in/#/account/logi… . Our web webpage: puneetguptaiitroorkee.co.in/home) . Our group is looking for motivated students who have qualified GATE or CSIR/UGC exams. Note that the deadline is 1st November 2024.

Second Paper in this Week: Congratulations to Shivangi for her computational catalysis paper in @Wiley_Chemistry @ChemPlusChem @ChemistryEurope. Thanks to @iitroorkee , and @serbonline . …mistry-europe.onlinelibrary.wiley.com/doi/abs/10.100…

sciencedirect.com/science/articl…. Congrats to @nikunjkr1 for his computational catalysis paper in @JCatal_J. Thanks to Science and Engineering Research Board - SERB @serbonline and IIT Roorkee @iitroorkee.

Check out our collaborative work on "Metal-free Borylation of α-Naphthamides and Phenylacetic Acid Drug " with @maiti_iitb group, now published in @JACS Au. pubs.acs.org/doi/10.1021/ja…. @iitroorkee @iitbombay

> First batch of students have been selected. We will call the next batch soon. Keep applying! > Topics covered this time: ChemCraft (build computational models), ORCA (Optimization & Transition State Search) > The workshop will continue throughout the year with new topics.

AN unique opportunity for students.

Growing up in the cricket era, I only read about the great Indian hockey team led by Dhyan Chand in Manorama Year Books. However, witnessing the real thrill of the game for the first time was an incredible experience. Well played, boys!

#OnTheCover Modelling on a Biomimetic [Cu-O-Cu]2+-mediated Methane-to-Methanol Conversion Unveils the Site for Methane Activation (Puneet Gupta and co-workers) onlinelibrary.wiley.com/doi/10.1002/as… @CenterCatalysis @SumanglaArora onlinelibrary.wiley.com/doi/10.1002/as…

Congratulations to my PhD student @PRawal_3914 for the Cover in Chemistry - A European Journal from @ChemEurope. Thanks to @Wiley_Chemistry, @ChemEurJ for accepting the Cover free of charge. Support from @serbonline, @iitroorkee, @EduMinOfIndia and @IndiaDST

Thanks @chemasianj@wiley-vch.de for publishing our work.

Excited to reveal the cover art for my latest manuscript: 🎨🔍 Dive into the details here: doi.org/10.1021/acs.jp…. For more, visit: pubs.acs.org/toc/jpcafh/128… @CenterCatalysis @ACS4Authors #MyACSCover

Dive deep into the complexities of iron catalysis featuring non-innocent pyridine diimine ligands! This work unveils insights into the challenges and alternative solutions in this fascinating realm. @nikunjkr1 @CenterCatalysis @iitroorkee go.acs.org/9iw

Thanks the Journal of Physical Chemistry.

@VPolshettiwar @TIFRScience @BPCLimited Congratulations Prof Vivek 👏

Thrilled to announce that our group's efforts in catalytic #CO2 conversion have received two prestigious awards at the BPCL Idea Innovation Awards! grateful to BPCL for recognizing our fundamental work in catalysis and the fight against climate change. @TIFRScience @BPCLimited

@maiti_iitb @NatureSynthesis @dm_lab @ubasel Congratulations 🎊

🚀@NatureSynthesis Dive into our @dm_lab & @p_bhaumik latest work: “Enantiodivergent synthesis of isoindolones catalyzed by a Rh(III)-based artificial metalloenzyme." Thank you Prof. Tom Ward Group @UBasel for the unconditional help and support. nature.com/articles/s4416…