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Our primary research interest lies in the broad area of catalysis which include reactivity study of metalloenzyme and model complexes, organo-catalysts, and metal-organic-frameworks/covalent-organic-frameworks in order to computationally design novel catalytic systems for sustainable energy and resources. We mainly use combined density functional and wave-function based methods like the multireference and local pair natural orbital coupled cluster techniques and semi-empirical tight binding approaches to deliver a reliable picture of the catalyst active site binding, aggregation, and reaction mechanism. We are mainly focused on three different sub-topics:

  • Bio-inspired homogeneous catalytic reactions

  • Small molecule activation

  • Non-covalent interaction assisted catalysis



April 2024
Lisa published her 50th peer-reviewed publication: Rh(II) catalyzed carbene insertion in benzotriazoles just accepted in 
Chem. Commun.

March 2024
Congratulations to Ajeet on getting an ACS best poster prize at ICFMPT-2024 organized by ICT and IOP Bhubaneswar
A big congratulation to Prativa on publishing her first paper of her PhD in
Chem. Commun. on Zn2+ catalyz
ed chemoselective coupling of alcohols.  
Lisa published a collaboration on Fe-Ru dual-metal cooperative catalysis in ACS Catalysis

February 2024
Congratulations to Ajeet for p
ublishing an Invited review article on Water Oxidation Catalysis in ACS Omega

January 2024
Lisa published a collaborative work on water assisted electrochemical synthesis of indole in
Chemistry - A European Journal

December 2023
Congratulations to Lakshmi on publishing her very first paper in
Chemistry - A European Journal

November 2023
Congratulations to Sanat on identifying a four-component electron donor-acceptor complex triggered radical initiation for selective C-H ar
ylation published in Organic Letters

September 2023
Ajeet's paper is selected as a Cover FeatureSanat's work is accepted in Chemical SciencePrativa gets a Thieme-Chemistry poster prize at KIIT-CRSI Bhubaneswar Chapter. Congratulations to all!

August 2023
Congratulations to Ajeet on his 
maiden "first-author" paper invited for the special collection on Inorganic Reaction Mechanisms in European Journal of Inorganic Chemistry. Way to go!
Lakshmi joins the group as a Project JRF. Welcome!

July 2023
Congratulations to Praseetha for getting a PhD position at Case-Western University, USA. 
May 2023
Congratulations to Ajeet for another collaborative work on self-assembly and gelation of Naphthalimides published in The Journal of Physical Chemistry B.
Lisa collaborates to understand the photochemistry of electron donor–acceptor (EDA) complex between NaI/PPh
3, TMEDA, and alkyl NHPI ester, published in Organic Letters
March 2023
Lisa writes a popular science article on CO2 reduction for the German Bunsen Society for Physical Chemistry
Ajeet publishes his dicyano aryl based AIEgen work in Chemical Communications; Lisa collaborates for Pd(II)-Catalyzed Oxidative Naphthylation in Organic Letters

February 2023 
A warm welcome to Praseetha who joins the group as a project Junior Research Fellow.
atulations to Ajeet and Sanat for two great papers in JACS and Journal of Organic Chemistry! Many more to come.

January 2023 

Lisa joins the Early Career Advisory Board of ChemPhysChem (Chemistry Europe/Wiley) in addition to continuing in the advisory board of ChemPlusChem.

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