Our work is focused on the investigation and modeling of catalytic activities, in molecules and materials, with an aim of contributing to (i) human healthcare and (ii) green & sustainable chemistry. In our group we mainly utilize density functional theory (DFT) to provide an unambiguous picture of the reaction mechanism to provide insights for design and development of systems with higher efficacy and optimum reactivity. Our primary research interest lies on:

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• Bio-inspired homogeneous catalytic reactions

• Small molecule activations 

• Storage materials for alternative fuels

• Non-covalent interaction guided catalysis and self-assembly

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​2022
September 2022
Congratulations to our research intern Dishan for publishing a work on water-assisted self-assembly of polyurethane in ACS Appl. Polym. Mater. [Link]

July 2022
Lisa presented a Key Note Lecture at Advances in Carbon Dioxide Capture & Utilization for Sustainable Climate (ACCUSC – 2022) organized by NIT Rourkela 

June 2022
Sanat and Prativa joins the group as PhD research scholars. Congratulations!

May 2022
Congratulations to our research intern Anmol for publishing a paper in Polymer Chemistry on supramolecular cross-linking in polyurethane and its host-guest chemistry! [Link]
Dishan joins as a Summer Intern. Welcome!

April 2022
Congratulations to Ajeet for publishing a collaborative work on predominance of dipolar interactions over hydrogen-bonding in the self-assembly of merocyanine dye in ChemNanoMat. Keep up the good work! [Link]
Congratulations to Pousali for getting a PhD position at Ariel University Israel. 

March 2022
Congratulations to Sanat for getting an ACS Best Poster Prize at NCMMS 2022. Well done! [Link]

January 2022
Lisa presented her views on ChemPlusChem's 10th Anniversary Editorial [Link]
Lisa's collaborative work on Supramolecular Assemblies of Melamine- and Imidazole-Based Dynamic Building Blocks is now published in JACS [Link]
Lisa's collaborative work on O2 activation by copper salts is accepted in Angewandte Chemie [Link] 
Lisa's collaboration on allylation of N-tert-butane by boronic acid is published in Chemical Science [Link]   



2021​​​
December 2021
Lisa's collaborative work on trifluoroethanol assisted pyrrole formation is now accepted as a HOT PAPER in Angewandte Chemie [Link]
Lisa's collaboration on luminescent property of organic donor-π-acceptor chromophore is published in Polymer Chemistry [Link]

November 2021
Congratulations to our former group member Pratibha on publishing a comprehensive review on unconventional ether solvents in ACS OPRD [Link]

September 2021
Hritwik joins the group as an autumn intern. Welcome!

August 2021
Prativa joins as a project JRF in our group. Welcome!
Ajeet's work on supramolecular self-assembly in collaboration with Dr. Anindita Das's group is now accepted in J. Mater. Chem. C. Hearty Congratulations to Ajeet! [Link]. 

July 2021
Congratulations to Ashish for publishing a collaborative work on transition metal free C(sp)-C(sp) cleavage in Org. Chem. Front. with the group of Dr. Chandi Charan Malakar [Link].
Anmol joins IIT Bombay, Lalita joins IISER Kolkata for Master's. Congratulations to both!

June 2021
The group receives the SERB-POWER grant. Congratulations to all group members!
Lalita, Divanshu and Prathamesh join as interns. Welcome!

May 2021
Ajeet presented his work on Supramolecular Helicity and Structural Tunability in another Twitter-based poster presentation organized by IISER TVM together with RSC-PCCP [Link]. Keep going!

April 2021
Welcome to our new group members: Anmol, Sanat and Pousali!
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March 2021
Lisa published a collaborative work on organophotoredox catalyzed Z-alkenylation of N-(acyloxy)phthalimides with the groups of Dr. Sandip Murarka and Dr. Suman De Sarkar in Org. Chem. Front. [Link]

January 2021
Ajeet qualifies ICT PhD entrance and joins the group as a PhD research scholar. Congratulations!
Lisa joins the ChemPlusChem Early Career Advisory Board [Link]


2020
December 2020
Lisa presented a talk at the India International Science Festival - Young Scientists' Conference with the theme "Frontier Areas of Basic and Applied Science"
Lisa gave an invited talk, Ajeet presented a Twitter-based poster at ChemSci2020 - Leaders In The Field Symposium jointly organized by Royal Society of Chemistry and IISER Kolkata [Link]. 

November 2020
Lisa gave an invited lecture at Five Days National Webinar under TEQIP-III with the theme “The Chemistry in Fume Hood to Computers” organized by NIT Manipur
Lisa supervised Munia from Prof. Ankan Paul's group on FLP catalyzed H2 activation now published in ChemistrySelect [Link]
Ashish joins as a Project Assistant. Welcome!

October 2020
Lisa published a book chapter in Royal Society of Chemistry [Link]
Lisa published a Frontier Article on Non-noble Metal Catalyzed CO2 Conversion in Dalton Trans. [Link]

September 2020
Lisa published a collaborative work with Dr. Suman De Sarkar's group on Non-covalent interaction assisted Nickel catalyzed C-H activation in Chem. Eur. J. [Link]

August 2020
Congratulations to Pratibha for a PhD position at IIT Jodhpur
 
April 2020
Lisa published an article on the application of DLPNO-CCSD(T) local energy decomposition technique to BN materials in Int. J. Quantum Chem. [Link]
Congratulations to Pratibha and Saswat for publishing an invited article on H2 adsorption on MOF in Mol. Physics [Link]

March 2020
Lisa published a collaborative research with Dr. Anindita Das's group on non-covalent interaction assisted supramolecular self-assembly in Langmuir [Link]
 
February 2020
Ajeet joins as a Project Assistant. Welcome!

January 2020
Lisa's minireview in ChemPlusChem is selected for the ChemPlusChem Readers' Choice [Link]