Group Updates
July 2024
Congratulations!!!
Akhil's work on "Geometry-driven multi-state reactivity of tetra-coordinated iron-oxo complexes." has been published in Inorg. Chem., Many Congratulations Akhil!
April 2024
Congratulations!!!
Janavi's work on "The Origin of Regioselectivity in Ru(II)-Catalyzed C–H Annulation of N‑Chlorobenzamides with 1,3-Diynes" has been published in J. Org. Chem., Many Congratulations Janavi!
Congratulations!!!
Ashutosh's work on "ColPTMScape: An open access knowledge base for tissue-specific collagen PTM maps" has been published in Matrix Biology Plus, Many Congratulations Ashutosh!
January 2024
Welcome!!!
Janavi joins as a Ph.D. in the Computational Catalysis Laboratory. A warm welcome to Janavi!
Congratulations!!!
Mayank received the best poster award from RSC Chemical Science at the 6th Symposium on Advances Biological Inorganic Chemistry, SABIC-2024 conference, Kolkata, Congratulations Mayank!
December 2023
Congratulations!!!
Mayank's work on "How Axial Coordination Regulates the Electronic Structure and C–H Amination Reactivity of Fe–Porphyrin–Nitrene? " has been published in JACS Au, Many Congratulations Mayank!
September 2023
Welcome!!!
Susovon joins as a Ph.D. in the Computational Catalysis Laboratory. A warm welcome to Susovon!
August 2023
Congratulations!!!
Akhil's work on the "Geometry of the First Excited State of μ2-η1:η1-N2 Bridged Bimetallic Dinitrogen Complexes: " just got accepted in Chem. Eur. J. Many Congratulations Akhil!
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Susovon and Akhil's work on the "electronic structure of N2-bound cAAC-borylene" got just accepted in Dalton Trans. makes the 10th publication of the group from IIT Mandi. Many Congratulations Susovon and Akhil!
March 2023
Congratulations!!!
Our work on the CO2 hydrogenation catalysed by non-noble metal PNP pincer complexes has been published in Catalysts, Congratulations Snehasis!
March 2023
Congratulations!!!
Our work on the electronic structure of metal-porphyrin-nitrene and their nitrene transfer reactivity has been published in Inorg. Chem., Congratulations Mayank!
October 2022
Congratulations!!!
Mayank received best poster presentation award in the Theoretical Chemistry and Biology (TCB-2022) at NIPER Mohali.
Congratulations Mayank!
August 2022
Welcome!!!
Snehasis joins as a Ph.D. in the Computational Catalysis Laboratory. A warm welcome to Snehasis!
August 2022
Congratulations!!!
Our collaborative work on Cu-CP catalysed oxygen reduction reaction (ORR) with Rik Rani Koner's group at IIT Mandi has been Accepted in Inorg. Chem., Congratulations Akhil!
May 2022
Congratulations!!!
Akhil received best oral presentation award in the Chemical Sciences Symposium (CSS-2022) at IIT Mandi.
Congratulations Akhil!
January 2022
Congratulations!!!
Our collaborative work on Cu-catalysed water oxidation with Paria lab at IIT Delhi has been published in Inorg. Chem., Congratulations Akhil!
December 2021
Akhil and Mayank presented posters in the Theoretical Chemistry Symposium (TCS) 2021 at IISER Kolkata
November 2021
Dr. Mondal delivered a talk in the Computational and Theoretical Chemistry (CATCO) Group at the Southern Methodist University (SMU), TX, USA
March 2021
Welcome!!!
Mayank joins as a Ph.D. in the Computational Catalysis Laboratory. A warm welcome to Mayank!
January 2021
Dr. Mondal delivered talks in the ​Short-Term Course on “Advanced Technology for Materials Engineering” at IIT Indore
January 2021
Congratulations!!!
Our collaborative work with Prof. Nandi's lab at IIT Mandi was published in Chem. Sci.
Our collaborative work with Dr. Koner's lab at IIT Mandi was published in Chem. Comm.
December 2020
Congratulations!!!
CompCatLab received the start-up research grant from the Science and Engineering Research Board (SERB), Govt. of India.
September 2020
Welcome!!!
Akhil joins as a Ph.D. in the Computational Catalysis Laboratory. A warm welcome to Akhil!
June 2020
Dr. Mondal has been appointed as a Guest Editor in the Journal of Theoretical and Computational Chemistry, World Scientific, Singapore
Submit your work on Computational Catalysis:
Dec 2019
Dr. Mondal joins IIT Mandi as Assistant Professor