Computational Catalysis Center (@Puneet Gupta)

Founder: Dr. Puneet Gupta (Associate Professor, Chemistry Department , IIT Roorkee)

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

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 (https://t.co/VRxJFOPsga), write to [email protected]

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

@VishalGovindRao @IITKanpur Congratulations for this success!

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

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

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

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.

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

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.
https://t.co/F8obRdSzxH

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

Applications are invited for admission to PhD programme at IIT Roorkee. https://t.co/0MxebwbupF . Our web webpage: https://t.co/3mBX15gbgW) . Our group is looking for motivated students who have qualified GATE or CSIR/UGC exams. Note that the deadline is 1st November 2024.

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

Second Paper in this Week: Congratulations to Shivangi for her computational catalysis paper in @Wiley_Chemistry @ChemPlusChem @ChemistryEurope. Thanks to @iitroorkee , and @serbonline .

https://t.co/pQIhV3ZlRQ

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

https://t.co/WKIL9ZD26H.
Congrats to @nikunjkr1 for his computational catalysis paper in @JCatal_J. Thanks to Science and Engineering Research Board - SERB @serbonline and IIT Roorkee @iitroorkee.

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

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. https://t.co/KdVwQKyAU7. @iitroorkee @iitbombay

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

> 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.

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

AN unique opportunity for students.

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

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!

[Asian Chemical Editorial Society (ACES) @ACES_Journals]

#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) https://t.co/MTGjFhKxwo @CenterCatalysis @SumanglaArora https://t.co/ibkVO3kPZ6

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

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

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

Thanks @[email protected] for publishing our work.

[Asian Chemical Editorial Society (ACES) @ACES_Journals]

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 https://t.co/MTGjFhKxwo

[Nikunj Kumar @nikunjkr1]

Excited to reveal the cover art for my latest manuscript: 🎨🔍 Dive into the details here: https://t.co/SyHlkxR95z. For more, visit: https://t.co/OLMC4TIbEY
@CenterCatalysis @ACS4Authors #MyACSCover

[The Journal of Physical Chemistry @JPhysChem]

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
https://t.co/uGZ6hmCIWq

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

Thanks the Journal of Physical Chemistry.

[The Journal of Physical Chemistry @JPhysChem]

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
https://t.co/uGZ6hmCIWq

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

@VPolshettiwar @TIFRScience @BPCLimited Congratulations Prof Vivek 👏

[Computational Catalysis Center (@Puneet Gupta) @CenterCatalysis]

@maiti_iitb @NatureSynthesis @dm_lab @ubasel Congratulations 🎊