Founder: Dr. Puneet Gupta (Associate Professor, Chemistry Department , IIT Roorkee)
Roorkee-247667, India
Joined November 2020
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Computational Catalysis Center (@Puneet Gupta) retweeted
We are delighted to welcome Prof Srabanti Chaudhury @srabantichaudh2, @IISERPune, as a speaker in FORCE-IICS 2026 at Mussoorie. Her laboratory works in the areas of single molecule enzyme/nanoparticle catalysis, DNA-protein interactions, polymer translocation, and conformational properties and self assembly of block copolymers.
Computational Catalysis Center (@Puneet Gupta) retweeted
We are delighted to welcome Prof Jürgen Seibel, Julius-Maximilians-Universität Würzburg, Germany, as a speaker in FORCE-IICS 2026 at Mussoorie. His present research interests are focused on bioorganic chemistry and chemical biology including the development of chemical and enzymatic syntheses, biocatalysis, protein engineering, drug delivery and glycosciences.
Computational Catalysis Center (@Puneet Gupta) retweeted
We are delighted to welcome Prof Kallol Ray @HumboldtUni as a speaker in FORCE-IICS 2026 at Mussoorie. His research group targets unraveling of the mechanistic details of small molecule activation (O2, H2O, CO2) for redox processes at enzyme like catalysts with transition metal centers e.g. Fe, Cu, Co, Mn and Ni.
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 [email protected]
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/#/accou… . Our web webpage: puneetguptaiitroorkee.co.in/…) . 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 .
chemistry-europe.onlinelibra…
sciencedirect.com/science/ar….
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/jac…. @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.
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!
Computational Catalysis Center (@Puneet Gupta) retweeted
#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/… @CenterCatalysis @SumanglaArora onlinelibrary.wiley.com/doi/…
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.
Modelling on a Biomimetic [Cu-O-Cu]2+-mediated Methane-to-Methanol Conversion Unveils the Site for Methane Activation (S. Arora and P. Gupta) @CenterCatalysis @SumanglaArora @iitroorkee @serbonline onlinelibrary.wiley.com/doi/…
Computational Catalysis Center (@Puneet Gupta) retweeted
Excited to reveal the cover art for my latest manuscript: 🎨🔍 Dive into the details here: doi.org/10.1021/acs.jpca.3c0…. For more, visit: pubs.acs.org/toc/jpcafh/128/…
@CenterCatalysis @ACS4Authors #MyACSCover
Computational Catalysis Center (@Puneet Gupta) retweeted
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.
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