Tarak Karmakar

2021- IIT Delhi 
Computational Chemistry, Materials & Biology
"Tarak Karmakar"
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Srabani Taraphder grad student 2009-2011 IIT Kharagpur
Sundaram Balasubramanian grad student 2011-2016 JNCASR
Michele Parrinello post-doc 2017-2021 ETH Zürich | USI | Istituto Italiano di Tecnologia


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Neha Mehta grad student 2021- IIT Delhi
Soumya Mondal grad student 2021- IIT Delhi
Nisha Kumari grad student 2022- IIT Delhi
Vikas Tiwari grad student 2022- IIT Delhi
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Karmakar T, Finney AR, Salvalaglio M, et al. (2023) Non-Equilibrium Modeling of Concentration-Driven processes with Constant Chemical Potential Molecular Dynamics Simulations. Accounts of Chemical Research. 56: 1156-1167
Das B, Yadav R, Sharma A, et al. (2023) Cyclic(alkyl)(amino)carbene (CAAC)- and bicyclic (alkyl)(amino)carbene (BICAAC)-derived glyoxal radical cations with excellent stability. Chemical Communications (Cambridge, England). 59: 5285-5288
Tiwari V, Garg S, Karmakar T. (2023) Insights into the Interactions of Peptides with Monolayer-Protected Metal Nanoclusters. Acs Applied Bio Materials
Singh S, Mondal S, Tiwari V, et al. (2023) Cooperative Friedel-Crafts Alkylation of Electron-Deficient Arenes via Catalyst Activation with Hexafluoroisopropanol. Chemistry (Weinheim An Der Bergstrasse, Germany)
Sharma A, Mondal S, Ahuja T, et al. (2023) Ion-Mediated Protein Stabilization on Nanoscopic Surfaces. Langmuir : the Acs Journal of Surfaces and Colloids
Tiwari V, Mondal S, Kumari N, et al. (2022) Collective Variables for Crystallization Simulations-from Early Developments to Recent Advances. Acs Omega. 8: 127-146
Tyagi A, Mondal S, Tiwari V, et al. (2022) Understanding cyclic(alkyl)(amino)carbene-copper complex catalysed N-H and O-H bond addition to electron deficient olefins. Chemical Communications (Cambridge, England). 59: 110-113
Bjelobrk Z, Rajagopalan AK, Mendels D, et al. (2022) Solubility of Organic Salts in Solvent-Antisolvent Mixtures: A Combined Experimental and Molecular Dynamics Simulations Approach. Journal of Chemical Theory and Computation. 18: 4952-4959
Dolui P, Tiwari V, Saini P, et al. (2022) A Catalyst and Solvent Free Route for the Synthesis of N-Substituted Pyrrolidones from Levulinic Acid. Chemistry (Weinheim An Der Bergstrasse, Germany). e202200829
Dalal A, Kushwaha T, Choudhir G, et al. (2022) Computational investigations on the potential role of hygrophorones as quorum sensing inhibitors against LasR protein of . Journal of Biomolecular Structure & Dynamics. 1-11
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