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  1. Yi Zhang, R. Nelson, Elisha Siddiqui, K.-M. Tam, U. Yu, T. Berlijn, W. Ku, N. S. Vidhyadhiraja, J. Moreno and M. Jarrell, Generalized multiband typical medium dynamical cluster approximation: Application to (Ga,Mn)N, Physical Review B 94, 224208 (2016).

  2. Sudeshna Sen, Hanna Terletska, Juana Moreno, N. S. Vidhyadhiraja* and Mark Jarrell, Local theory for Mott-Anderson localization, Physical Review B 94, 235104 (2016).

  3. Saikat Basu, Suman Majumder, Sabyasachi Sutradhar, Subir K. Das and Raja Paul, Phase segregation in a binary fluid confined inside a nanopore, Europhysics Letters 116, 56003 (2016).

  4. Pallavi Bothra and Swapan K. Pati, Activity of Water Oxidation on Pure and (Fe, Ni, and Cu)-Substituted Co3O4, ACS Energy Lett. 1, 858 - 862 (2016).

  5. R. Jana, A. Bhim, P. Bothra, S. K. Pati and P. C. Sebastian, Electrochemical Dealloying of PdCu3 Nanoparticles to Achieve Pt-like Activity for the Hydrogen Evolution Reaction, ChemSusChem 9, 2922 - 2927 (2016).

  6. V. Rajaji, P. S. Malavi, SSRKC Yamijala, Y.A. Sorb, U. Dutta, S. N. Guin, B. Joseph, S. K. Pati, S. Karmakar, K. Biswas and C. Narayana, Pressure induced structural, electronic topological and semiconductor to metal transition in AgBiSe2, Appl. Phys. Lett 109, 171903 - 171905 (2016).

  7. S. Roy, A. Hazra, A. Bandyopadhyay, D. Raut, P. Madhuri, D. S. Rao, U. Ramamurty, S. K. Pati, S. K. Prasad and T. K. Maji, Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure–Property Correlations Through Nanoindentation and DFT Calculations, J. Phys. Chem. Lett. 7, 4085 - 4092 (2016).

  8. S. Sanyal, A. Painelli, S. K. Pati, F. Terenziani and C. Sissa, Aggregates of quadrupolar dyes for two-photon absorption: the role of intermolecular interactions, Phys. Chem. Chem. Phys. 18, 28198 - 28208 (2016).

  9. Madhuri Mukhopadhyay, Bradraj Pandey and Swapan K Pati, Tuning the optically bright and dark states of doped graphene quantum dots, Phys. Rev. Appl. (2016). In Press.

  10. Y. V. Suseela, Shubhajit Das, Swapan K pati and T. Govindaraju, Imidazolyl-Naphthalenediimide Based Threading Intercalators of DNA, ChemBioChem 17, 2162 - 2172 (2016).

  11. Nagamalleswararao Dasari, S. R. K. C. Sharma Yamijala, Manish Jain, T. Saha Dasgupta, Juana Moreno, Mark Jarrell and N. S. Vidhyadhiraja, A first principles investigation of cubic BaRuO3: A Hund's metal, Physical Review B 94, 085143 (2016).

  12. Nagamalleswararao Dasari, Wasim Raja Mondal, Peng Zhang, Juana Moreno, Mark Jarrell and N. S. Vidhyadhiraja, A multi-orbital iterated perturbation theory for model Hamiltonians and real material-specific calculations of correlated systems, European Physical Journal B 89, 202 (2016).

  13. Sudeshna Sen and N. S. Vidhyadhiraja, Quantum critical Mott transitions in a bilayer Kondo insulator-metal model system, Physical Review B 95, 155136 (2016).

  14. Swagata Acharya, Amal Medhi, N S Vidhyadhiraja and A Taraphder, Feasibility of a metamagnetic transition in correlated systems, Journal of Physics: Condensed Matter 28, 116001 (2016).

  15. Shuo Liu, B. Phillabaum, E. W. Carlson, K. A. Dahmen, N. S. Vidhyadhiraja, M. M. Qazilbash and D. N. Basov, Random Field Driven Spatial Complexity at the Mott Transition in VO2, Physical Review letters 116, 036401 (2016).

  16. S. A. Adalikwu, A. Chakraborty, A. Hazra, D. Ghosh, S. K. Pati and T. K. Maji, 2D coordination polymer composed of 1D {NiII(μ-O)(μ-H2O)NiII}n ferromagnetic chains: Modulation of magnetic properties based on dehydration and rehydration, Polyhedron 115, 276 - 281 (2016).

  17. S. N. Guin, S. Banerjee, D. Sanyal, Swapan K Pati and K. Biswas, Origin of the Order–Disorder Transition and the Associated Anomalous Change of Thermopower in AgBiS2 Nanocrystals: A Combined Experimental and Theoretical Study, Inorg. Chem 55, 6323 - 6331 (2016).

  18. Sananda Biswas and Shobhana Narasimhan, Bromine as a Preferred Etchant for Si Surfaces in the Supersaturation Regime: Insights from Calculations of Atomic Scale Reaction Pathways, J. Phys. Chem. C 120, 15230 - 15234 (2016).

  19. Pallavi Bothra, Mohnish Pandey and Swapan K. Pati, Size-Selective electrocatalytic activity of (Pt)n/MoS2 for oxygen reduction reaction, Catalysis Science & Technology 6, 6389 - 6395 (2016).

  20. Mohnish Pandey, Pallavi Bothra and Swapan K Pati, Phase Transition of MoS 2 Bilayer Structures, J. Phys. Chem. C 120, 3776 - 3780 (2016).

  21. Arkamita Bandyopadhyay and Swapan K Pati, Role of Donor Acceptor Macrocycles in Sequence Specific Peptide Recognition and their Optoelectronic Properties: A Detailed Computational Insight, Phys. Chem. Chem. Phys. 18, 20682 - 20690 (2016).

  22. Pallavi Bothra and Swapan K Pati, Towards methanol synthesis from CO2 and H2 on Iridium clusters, (2016).

  23. P. Kumar, SRKC Chaitanya Sharma and Swapan K Pati, Optical Unzipping of Carbon Nanotubes in Liquid Media, J. Phys. Chem. C 120, 16985 - 16993 (2016).

  24. Swastika Banerjee and Swapan K Pati, Anodic performance of Black Phosphorus in Magnesium-ion Battery: The Significance of Mg-P Bond-synergy, Chem. Commun. 52, 8381 - 8384 (2016).

  25. Swastika Banerjee and Swapan K Pati, Charge-Transport Anisotropy in Black Phosphorus: Critical dependence on the number of layers, Phys. Chem. Chem. Phys. 18, 16345 - 16352 (2016).

  26. Benjamin Trefz, Subir K. Das, Sergei A. Egorov, Peter Virnau and Kurt Binder, Activity mediated phase separation: Can we understand phase behavior of the nonequilibrium problem from an equilibrium approach?, Journal of Chemical Physics 144, 144902 (2016).

  27. Bradraj Pandey, Sudipta Dutta and Swapan K Pati, Breakdown of electron-pairs in presence of electric field of a superconducting ring, J. Phys. Cond. Matter 28, 195601 - 195607 (2016).

  28. Swastika Banerjee, Siamkhanthang Neihsial and Swapan K Pati, First-principles Design of a Borocarbonitride based Anode for Superior Performance in Sodium-ion Battery and Capacitor, J. Mater. Chem. A 4, 5517 - 5527 (2016).

  29. Dibyajyoti Ghosh, Prakash Parida and Swapan K Pati, Spin-State Switching of Manganese Porphyrin by Conformational Modification, J. Phys. Chem. C 120, 3625 - 3634 (2016).

  30. Ritesh Haldar, Komal Prasad, Pralok K. Samanta, Swapan K. Pati, and Tapas Kumar Maji, Luminescent Metal-Organic Complexes of Pyrene or Anthracene Chromophores: Energy Transfer Assisted Amplified Exciplex Emission and Al3+ Sensing, Cryst. Growth Des. 16, 82 - 91 (2016).

  31. Saikat Chakraborty and Subir K. Das, Fractality in persistence decay and domain growth during ferromagnetic ordering: Dependence upon initial correlation, Physical Review E 93, 032139 (2016).

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