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  1. Subhajit Paul and Subir K. Das, Dynamics of Clustering in Freely Cooling Granular Fluid, Europhysics Letters 108, 66001 (2014).

  2. Sutapa Roy and Subir K. Das, Finite-size Scaling Study of Shear Viscosity Anomaly at Liquid-Liquid Criticality, Journal of Chemical Physics 141, 234502 (2014).

  3. Shaista Ahmad, Sanjay Puri and Subir K. Das, Phase Separation of Fluids in Porous Media: A molecular dynamics study, Rapid Communication in Physical Review E 90, 040302 (2014).

  4. Jiarul Midya, Suman Majumder and Subir K. Das, Aging in Ferromagnetic Ordering: Full decay and finite-size scaling of autocorrelation, Fast Track Communication in Journal of Physics: Condensed Matter 26, 452202 (2014).

  5. Subir K. Das, Sergei A. Egorov, Benjamin Trefz, Peter Virnau and Kurt Binder, Phase Behavior of Active Swimmers in Depletants: Molecular Dynamics and Integral Equation Theory, Physical Review Letters 112, 198301 (2014).

  6. Pramod Kumar and N. S. Vidhyadhiraja, Kondo-hole substitution in heavy fermions: Dynamics and transport, Physical Review B 90, 235133 (2014).

  7. N. Nagarjun, Manoj Kumar, S. Das, R. Sharma, P. K. Samanta, S. K. Pati, S. Dhar, T. K. Kundu, T. Govindaraju , A Thiazole Coumarin (TC) Turn-On Fluorescence Probe for AT-Base Pair Detection and Multipurpose Applications in Different Biological Systems, Scientific Reports 4, 6476 - 6485 (2014).

  8. S. Koley, M. S. Laad, N. S. Vidhyadhiraja and A. Taraphder, Preformed excitons, orbital selectivity, and charge-density-wave order, Physical Review B 90, 115146 (2014).

  9. Swastika Banerjee and Swapan K. Pati, Criticality of Surface Topology for Charge-carrier Transport Characteristics in Two-Dimensional Borocarbonitrides: Design Principle of an Efficient Electronic Material, Nanoscale 6, 13430 - 13434 (2014).

  10. Dibyajyoti Ghosh, Ganga Periyasamy, Bradraj Pandey and Swapan K. Pati, Computational Studies on Magnetism and Optical Properties of Transition Metal Embedded Graphitic Carbon Nitride Sheet, J. Mater. Chem. C 2, 7943 - 7951 (2014).

  11. Swastika Banerjee, Ganga Periyasamy and Swapan K. Pati, Formation Mechanism and Possible Stereo Control of Bisphenol A derivatives: A Computational Study, J. Phys. Chem. B 118 , 9258 - 9262 (2014).

  12. Sharma SRKC Yamijala, Arkamita Bandyopadhyay and Swapan K Pati, Nitrogen Doped Graphene Quantum Dots as Possible Substrates to Stabilize Planar Conformer of Au20 Over its Tetrahedral Conformer: A Systematic DFT Study, J. Phys. Chem. C 118, 17890 - 17894 (2014).

  13. Dibyajyoti Ghosh, Ganga Periyasamy and Swapan K. Pati, Transition Metal Embedded Two-Dimensional C3N4-graphene Nanocomposite: A Multifunctional Material, J. Phys. Chem. C 118 , 15487 - 15494 (2014).

  14. Dibyajyoti Ghosh, Prakash Parida and Swapan K. Pati, Insertion of Line Defect in Nanoribbons of Graphene, Boron Nitride and Hybrid of them: An AIMD study, J. Phys. Chem. C 118, 14670 - 14676 (2014).

  15. Sharma SRKC Yamijala and Swapan K Pati, Effects of edge passivations on the electronic and magnetic properties of zigzag boron-nitride nanoribbons with even and odd-line stone–wales (5–7 pair) defects, Indian Journal of Physics 88, 931 - 938 (2014).

  16. Kanchan Ulman and Shobhana Narasimhan, Point Defects in Twisted Bilayer Graphene: A Density Functional Theory Study, Physical Review B 89, 245429 (2014).

  17. Sharma SRKC Yamijala, Arkamita Bandyopadhyay and Swapan K Pati, Electronic properties of zigzag, armchair and their hybrid quantum dots of graphene and boron-nitride with and without substitution: A DFT study, Chem. Phys. Lett 603, 28 - 32 (2014).

  18. Kanchan Ulman, Debarati Bhaumik, Brandon C. Wood and Shobhana Narasimhan, Physical Origins of Weak H2 Binding on Carbon Nanostructures: Insight from Ab Initio Studies of Chemically Functionalized Graphene Nanoribbons, J. Chem. Phys. 140, 174708 (2014).

  19. Debosruti Dutta, Brandon C. Wood, Shreyas Y. Bhide, K. Ganapathy Ayappa and Shobhana Narasimhan, Enhanced Gas Adsorption on Graphitic Substrates via Defects and Local Curvature: A Density Functional Theory Study, J. Phys. Chem. C 118, 7741 - 7750 (2014).

  20. Pallavi Bothra and Swapan K. Pati, Improved catalytic activity of Rhodium monolayer modified Nickel (110) Surface for the methane dehydrogenation reaction: A first-principles study, Nanoscale 6, 6738 - 6744 (2014).

  21. Debabrata Maity, Anand Raj, Pralok K. Samanta, D. Karthigeyan, Tapas K. Kundu, Swapan K. Pati, and T. Govindaraju, A Probe for ratiometric near-infrared fluorescence and colorimetric hydrogen sulfide detection and imaging in live cells, RSC Advances (2014). In Press.

  22. Somananda Sanyal, Arun K. Manna and Swapan K. Pati, Functional Corannulene: Diverse Structures, Enhanced Charge Transport and Tunable Opto-Electronic Properties, ChemPhysChem 15, 885 - 893 (2014).

  23. Somananda Sanyal, Arun Kumar Manna and Swapan Pati, BN-Decorated Graphene Nanoflakes for Tunable Opto-electronic and Charge Transport Properties, J. Mater. Chem. C 2, 2918 - 2928 (2014).

  24. Kanchan Ulman, Shobhana Narasimhan and Anna Delin, Tuning Spin Transport Properties and Molecular Magnetoresistance Through Contact Geometry, J. Chem. Phys. 140, 044716 (2014).

  25. Naushad Ahmad Kamar and N. S. Vidhyadhiraja, Site-disorder driven superconductor-insulator transition: A dynamical mean field study, Journal of Physics: Condensed Matter 26, 095701 (2014).

  26. Swastika Banerjee, Ganga Periyasamy and Swapan K. Pati, Possible application of 2D-Boron sheets as Anode Material in Lithium Ion Battery: A DFT and AIMD study, J. Mater. Chem. A 2, 3856 - 3864 (2014).

  27. Pralok K Samanta and Swapan K Pati, Structural and Magnetic Properties of a Variety of Transition Metal Incorporated DNA Double Helices, Chem. Eur. J. 1760 - 1764 (2014).

  28. Dibyajyoti Ghosh, Prakash Parida and Swapan K Pati, Line Defects at the Heterojunction of Hybrid Boron Nitride/Graphene Nanoribbons, J. Mater. Chem. C 2, 392 - 398 (2014).


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