7. Dhananjay, and, Tarak Karmakar*. Machine-Learning Interatomic Potential-based Enhanced Sampling Simulations Reveal Dynamic Conformations and Catalytic Implications of Au9 Nanocluster Confined in UiO-66-NH2 MOF. ChemRxiv, 2026
6. Glory James, Ravari Kandy Aparna, Dhananjay, Arun Karmakar, Vikas Tiwari, Sona Shaju Rose, Nonappa, Seiji Yamazo, Subrata Kundu*, Tarak Karmakar*, and Sukhendu Mandal*. Ligand-free Au9 Nanoclusters Templated Growth of Metal-Organic Framework for Enhanced Catalysis. Small, 2026
5. Bindusagar Das, Dhananjay, Aryan Chauhan, Ritu Yadav, Ankita Sharma, Chinmoy Majumder, Tarak Karmakar*, and Subrata Kundu*. Stable Ambiphilic Bis(N-Heterocyclic Imino)-Substituted Terminal Olefin and Its Diazoolefin Derivative Exhibits Unusual Dimerization. Chemistry – A European Journal, 2025
4. Vikas Tiwari, Dhananjay, and Tarak Karmakar*. Dynamics of gold nanocluster on MgO surface with F-center defect and its implication for CO oxidation. J. Chem. Phys., 2025
3. Animesh Karmakar,‡ Dhananjay,‡ and Tarak Karmakar*. Understanding Dynamics of Nanocluster–Organic Frameworks and Gas Diffusion from Machine Learning Potential-Based Simulations. Nano lett., 2025 (‡ shows equal contribution)
2. Monika Chaudhary,† Mrinal Kanti Adak,† Dhananjay,† Nidhi Kumari, Avinava Kundu, Hirak Kumar Basak, Tarak Karmakar* and Biswarup Chakraborty*. Elucidating the Role of Atomically Dilute Copper Centers Impregnating a Phosphamide Polymer for the Preferential Hydrogen Evolution Reaction over CO2 Reduction. Inorg. Chem., 2023 († shows equal contribution)
1. Dhananjay, and Bhabani S. Mallik. Cage Dynamics-Mediated High Ionic Transport in Li-O2 Batteries with a Hybrid Aprotic Electrolyte: LiTFSI, Sulfolane, and N,N-Dimethylacetamide. J. Phys. Chem. B, 2023
