Dr. Tarak Karmakar

About

I am an assistant professor at the Indian Institute of Technology, Delhi, India. Prior to joining IITD, I did my postdoctoral research in Prof. Michele Parrinello's research group at USI Lugano and ETH Zurich, Switzerland. My current research focuses on development of new simulation methods to investigate crystal growth and nucleation. My Ph. D. work at JNCASR, Bangalore, India was understanding conformational dynamics of enzymes relevant to human diseases and those of industrial importance.

Employment

• Indian Institute of Technology Delhi Assistant Professor
  2021 - Present
• Università della Svizzera Italiana Postdoctoral research
  2017 - Present
• ETH Zurich Postdoc
  2017 - 2019

Education

• Jawaharlal Nehru Centre for Advanced Scientific Research Ph. D.
  2011 - 2017
• Indian Institute of Technology Kharagpur M. Sc.
  2009 - 2011
• Bankura Christian College B. Sc.
  2006 - 2009

Projects & Funding

Projects & funding information is unavailable.

Publications (84)

• Collective Reaction Dynamics during Ligand Exchange in Atomically Precise Metal Nanoclusters
  2026 DOI: 10.26434/chemrxiv.15001528/v2
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• Mentorship Strategies for New Principal Investigators in Computational Chemistry
  Journal of Chemical Information and Modeling 2026 DOI: 10.1021/acs.jcim.6c01193
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• Chemically resolved ethylene carbonate decomposition reveals the origins of carbonate-rich passivation on sodium metal
  Journal of Materials Chemistry A 2026 DOI: 10.1039/D6TA03796H
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• Revisiting Lanthanide Solvation: The “Gadolinium Break” That Does Exist
  The Journal of Physical Chemistry Letters 2026 DOI: 10.1021/acs.jpclett.5c03547
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• Collective Reaction–Surface Dynamics during Ligand Exchange in Atomically Precise Metal Nanoclusters
  2026 DOI: 10.26434/chemrxiv.15001528/v1
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• Turning Aggregation into a Mode of Activation: An Application in Photoinduced Anti-Markovnikov Hydroarylation
  ACS Sustainable Chemistry & Engineering 2026 DOI: 10.1021/acssuschemeng.6c00022
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• Machine-Learning Interatomic Potential-based Enhanced Sampling Simulations Reveal Dynamic Conformations and Catalytic Implications of Au9 Nanocluster Confined in UiO-66-NH2 MOF
  2026 DOI: 10.26434/chemrxiv.15005010/v1
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• Palladium-Catalyzed Unsymmetrical bis-Allylation of Active Methylene Compounds Using Vinyl Sulfoxonium Ylides and Allyl Esters
  Organic Letters 2026 DOI: 10.1021/acs.orglett.6c02527
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• Mechanistic Insights into Ammonia Formation on Dynamic Liquid Metal Catalysts
  2026 DOI: 10.26434/chemrxiv.15006680/v1
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• Conformational Dynamics and Inter-cluster Metal Exchange in DNA-Templated Silver Nanocluster
  2026 DOI: 10.26434/chemrxiv.15006997/v1
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