Our group focuses on understanding the chemical reactions using various computational methods.
Joined December 2020
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27 Photos and videos
Pinned Tweet
4 Dec 2025
For the upcoming January 2026 session under AcSIR, I have some Ph.D. positions in my research group at CSIR-NCL ,Pune, for working in the field of computational chemistry. Interested candidates with NET-JRF (CSIR/UGC) and INSPIRE fellows can contact me (k.vanka.ncl@csir.res.in).
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KV-CompChem@CSIR-NCL retweeted
May 4
Excited to share our newest work on NHC-Based Diazo Compounds: Pathways to N2 Liberation or Dimerization published in JOC @JOC_OL
Many Congrats to @kaajl, @Himanshu_S_Chem
Prabhakar, @KumarVanka1 @rajeshgonnade
Support: @ANRFIndia @csir_ncl
pubs.acs.org/doi/10.1021/acs…
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16th PhD from Boltzmann Lab
Congratulations to Dr. Himanshu @Himanshu_S_Chem for successfully defending his PhD thesis. @csir_ncl 🎉
Best Wishes for your future endeavours. @KumarVanka1 @AcSIR_India 👍🏼👍🏼💐
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KV-CompChem@CSIR-NCL retweeted
Apr 7
Unveiling the reactivity of N-heterocyclic methylene hydrazines - our latest work published now in Dalton Transactions. A super collaboration thanks to @kaajl @Himanshu_S_Chem, arindam, Arup, Prabhakar, @rajeshgonnade & @KVCompChemNCL Funding: @ANRFIndia pubs.rsc.org/en/content/arti…
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KV-CompChem@CSIR-NCL retweeted
Apr 1
Not created by nature, not consciously designed by humans, yet functioning as a unidirectional molecular machine. Our computational study reveals that Ziegler-Natta catalytic systems exhibit emergent machine-like behavior. Read our latest manuscript here!
chemrxiv.org/doi/full/10.264…
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KV-CompChem@CSIR-NCL retweeted
Mar 11
A Kekulé diradicaloid with a naphthalene spacer! Led by @gargikundu6 & @2Debjit and great collaborations with @SRDChem, Ravi, Arrya, Srinu, and Kumar, just published in Organometallics!
@csir_ncl @ANRFIndia @AmerChemSociety pubs.acs.org/doi/10.1021/acs…
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20 Dec 2025
Delivered a keynote lecture on some exciting Ziegler-Natta catalysis at Modern Trends in Inorganic Chemistry (MTIC 2025), held at Delhi University.@KumarVanka1 @csir_ncl
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5 Dec 2025
Congratulations to Sivasanker K. A. !!Student of Boltzmann Lab on getting the best poster award at the 19th Theoretical Chemistry Symposium (TCS 2025) held at @iitbombay @TCS2025_IITB @KumarVanka1 @csir_ncl
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4 Dec 2025
For the upcoming January 2026 session under AcSIR, I have some Ph.D. positions in my research group at CSIR-NCL ,Pune, for working in the field of computational chemistry. Interested candidates with NET-JRF (CSIR/UGC) and INSPIRE fellows can contact me (k.vanka.ncl@csir.res.in).
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4 Dec 2025
Our group at the Theoretical Chemistry Symposium (TCS) 2025 @iitbombay @TCS2025_IITB @KumarVanka1 @csir_ncl
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KV-CompChem@CSIR-NCL retweeted
20 Nov 2025
Delighted to share our latest work in Chem. Commun.: “Silylene-Cu(I) catalysis: regioselective protoboration of terminal alkynes.” Many thanks to @ShabanaKhan01, @iiserpune, and collaborators @RishukumarP, @Himanshu_S_Chem, and @KumarVanka1. Open access 🔗 doi.org/10.1039/D5CC06125C
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KV-CompChem@CSIR-NCL retweeted
14 Nov 2025
A story of silylene, Ni & solvent just out in Organometallics @ACSPublications
Great work by @V_S_Ajithkumar @BisaiMilan @PratikshaGhanw2 @VipinRajK3 Geetika & @KumarVanka1
Thanks @ANRFIndia for fund! @csir_ncl pubs.acs.org/doi/10.1021/acs…
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10 Oct 2025
Delighted to tell everyone that one of my former students, Dr. Vipin Raj K @VipinRajK3 has secured a permanent faculty position at Christ University, Bengaluru. Congratulations, Vipin, and best wishes for this exciting new chapter of your life!!! @csir_ncl @KumarVanka1
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KV-CompChem@CSIR-NCL retweeted
26 Aug 2025
Check out this innovative bioinspired synthesis!
Silver-catalyzed cascade reaction creates unique bridged isochromane-pyrazoles with high stereoselectivity and potent, selective antibacterial activity.
Big congrats to @Bhuvi_1995 & @ShreyaTewari_16 for their stellar work!
Heartfelt thanks to Himanshu Sharma & Dr. @KumarVanka1 for computational insights; Manleen Kaur & Prof. Neetu Singh for advancing biological applications of our novel molecules.
We also thank @serbonline , @ugc_india , and @CSIR_IND for funding and @iitdelhi for infra. @Chemistry_iitd
@JACS_Au
#OrganicChemistry #Antibacterial #JACSAu
pubs.acs.org/doi/10.1021/jac…
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23 Aug 2025
Dynamic aromaticity drives regioselectivity! 🔄Our new JOC @joc_ol @ACSPublication study uncovers how shifting aromatic character controls outcomes in NHC reactions.Big thanks to Prof. Israel @fernandez_group for his contribution. pubs.acs.org/doi/10.1021/acs… @Himanshu_S_Chem#compchem
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KV-CompChem@CSIR-NCL retweeted
23 Aug 2025
Regioselectivity isn’t luck—it’s aromaticity in action! 🔥
Discover how dynamic aromaticity guides NHC chemistry in our new JOC @ACSPublications @JOC_OL pubs.acs.org/doi/10.1021/acs…. Big thnx to Prof. @isra_group for his contribution. @KumarVanka1 @csir_ncl #compchem @KVCompChemNCL
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KV-CompChem@CSIR-NCL retweeted
@KumarVanka1 bringing molecular motors to an enraptured audience at #FACTS2025!
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KV-CompChem@CSIR-NCL retweeted
1 Aug 2025
Excellent talk by Sakya Sen at Ashoka University at the Conference celebrating Dr. Pal’s 70th Birthday!
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22 Jul 2025
Excited to share our latest research published in Chemical Science titled “The Critical Helping Hand of Water: Theory Shows the Way to Obtain Elusive, Granular Information about Kinetic Asymmetry Driven Systems ”pubs.rsc.org/en/content/arti…
Congrats to @priyamb70083819 and Shrivatsa
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