Publications

Acknowledging Param Yukti in your publications

Users are required to acknowledge the use of Param Yukti resources in their research publications. Here is a sample acknowledgement:

We acknowledge the Param Yukti facility under the National Supercomputing Mission at Jawaharlal Nehru Centre For Advanced Scientific Research for the computational resources.

Publications arising from the usage of Param Yukti

2024

  1. S. Rudra, D. Rao, S. Poncé, and B. Saha published "Dominant Scattering Mechanisms in Limiting the Electron Mobility of Scandium Nitride" in Nano Letters (in-press).
  2. N. Shukla et al. explored "Strain-Induced Valence Band Splitting Enabling Above-Bandgap Exciton Luminescence in Epitaxial Mg3N2 Thin Films" in Chem. Mater., 36 (11), 5563–5573.
  3. J. K. R. Deka et al. examined "Understanding the Cis–Trans Amide Bond Isomerization of N,N′-Diacylhydrazines to Develop Guidelines for A Priori Prediction of Their Most Stable Solution Conformers" in J. Org. Chem., 2024, 89(15), 10419−104.
  4. H. Xu et al. published "On-Surface Isomerization of Indigo within 1D Coordination Polymers" in Angew. Chem. Int. Ed., 2024, 63, e202319162.
  5. S. Chatterjee et al. presented "Mpemba effect in pure spin systems: A universal picture of the role of spatial correlations at initial states" in Physical Review E, volume 110, article L012103.
  6. S. Ghosh et al. discussed "Simulations of Mpemba Effect in WATER, Lennard-Jones and Ising Models: Metastability vs Critical Fluctuations" as an arXiv preprint (arXiv:2407.06954).
  7. S. K. Das explored "Finite-size behavior in phase transitions and scaling in the progress of an epidemic" in Physica A, volume 646, article 129871.
  8. T. Paul et al. studied "Finite-size scaling in kinetics of phase separation in certain models of aligning active particles" in Physical Review E, volume 109, article 064607.
  9. S. Ghosh and S. K. Das examined "Nonuniversal aging during phase separation with long-range interaction" in Physical Review E, volume 109, article L052102.
  10. R. Jena et al. published "Photocatalytic CO2 Reduction to Solar Fuels by a Chemically Stable Bimetallic Porphyrin-Based Framework," accepted for publication in Inorganic Chemistry.
  11. S. Biswas et al. wrote "A Triazole-Based Covalent Organic Framework as a Photocatalyst toward Visible-Light-Driven CO2 Reduction to CH4," accepted for publication in Chemical Science.
  12. R. Jena et al. examined "Electron Rich Guest Regulated Enhanced CO2 Reduction in a Multivariate Porous Coordination Polymer" in Advanced Functional Materials, article 2407721.
  13. F. A. Rahimi et al. explored "GFP Chromophore Integrated Conjugated Microporous Polymers toward Bio-inspired Photocatalytic CO2 Reduction to CO" in ACS Applied Materials & Interfaces, volume 16, pages 43171–43179.
  14. R. K. Saravanan et al. studied "Metallo-Porous Organic Polymer as a CO2 Reduction Catalyst toward Selective Solar Fuel Production" in Chemistry of Materials, volume 36, issue 13, pages 6410–6420.
  15. A. Dey et al. published "Microwave Assisted Fast Synthesis of a Donor-Acceptor COF towards Photooxidative Amidation Catalysis" in Angewandte Chemie International Edition, e202403093.
  16. S. Barman et al. presented "Redox-Active Covalent Organic Nanosheet (CON) as Metal-free Electrocatalyst for Selective CO2 Electro-Reduction to Liquid Fuel Methanol" in Journal of Materials Chemistry A, volume 12, pages 13266–13272.
  17. M. Maji et al. published "Hydrogen Evolution in Neutral Media by Differential Intermediate Binding at Charge-modulated Sites of a Bimetallic Alloy Electrocatalyst" in Angewandte Chemie International Edition, e202403697.
  18. N. Sikdar et al. explored "An Adsorbate Biased Dynamic 3D Porous Framework for Inverse CO2 Sieving over C2H2" in Chemical Science, volume 15, pages 7698–7706.
  19. A. Dey et al. presented "COF-Topological Quantum Material Nano-heterostructure for CO2 to Syngas Production under Visible Light" in Angewandte Chemie International Edition, e202315596.
  20. A. Singh et al. wrote "Atomically Dispersed Co2+ in a Redox-Active COF for Electrochemical CO2 Reduction to Ethanol: Unravelling Mechanistic Insight through Operando Studies" in Energy & Environmental Science, volume 17, pages 2315–2325.
  21. S. R. Hassan et al. published "Strong local bosonic fluctuations: The key to understanding strongly correlated metals" in Physical Review B, volume 110, article 075106.
  22. S. Kumar Channarayappa et al. examined "Tomonaga-Luttinger liquid and quantum criticality in spin-1/2 antiferromagnetic Heisenberg chain C14H18CuN4O10 via Wilson ratio" in PNAS Nexus

2023

  1. S. Rudra et al. published "Reversal of Band-Ordering Leads to High Hole Mobility in Strained p-type Scandium Nitride" in Nano Letters, 23 (17), 8211-8217.
  2. B. Biswas et al. explored "Magnetic stress-driven metal-insulator transition in strongly correlated antiferromagnetic CrN" in Phys. Rev. Lett., 131, 126302.
  3. D. Mukhopadhyay et al. studied "Surface scattering-dependent electronic transport in ultrathin scandium nitride films" in Appl. Phys. Lett., 123, 192101.
  4. J. K. R. Deka et al. investigated "Understanding the Cis–Trans Amide Bond Isomerization of N,N′-Diacylhydrazines to Develop Guidelines for A Priori Prediction of Their Most Stable Solution Conformers" in J. Org. Chem., 2023, 89(15), 10419−10433. Link
  5. K. Baruah et al. presented "Sidechain-Backbone Tetrel Bonding Interactions Provide a General Mechanism for trans-Peptoid Stabilization" in Chem. Eur. J., 2023, 29(32), p.e202300178. Link
  6. J. K. R. Deka et al. studied "Synergistic n→π* and nN→π*Ar interactions in C-terminal modified prolines: Effect on Xaa-Pro cis/trans equilibrium" in Chem. Commun., 2023, 59(40), pp.6080-6083. Link
  7. A. Vishnoi et al. explored "Conformational Studies of β-Azapeptoid Foldamers: A New Class of Peptidomimetics with Confined Dihedrals" in Chem. Eur. J., 2023, 30(6), p.e202303330.
  8. S. Chakraborty et al. investigated "Non-resonant Exciton-Plasmon Interaction in Metal-Chalcogenide CuxS/Perovskite (CsPbBr3) Based Colloidal Heterostructure" in J. Phys. Chem. C, 127, 31, 15353–15362.
  9. Y. Goswami et al. presented "Kinetic reconstruction of free energies as a function of multiple order parameters" in J. Chem. Phys., 158, 144502, Apr 2023.
  10. M. Adhikari et al. explored "Dependence of the glass transition and jamming densities on spatial dimension" in Phys. Rev. Lett., 131 (16), 168202.
  11. Pavan K. Singeetham et al. have an upcoming paper titled "A singularly altered streamline topology allows faster transport from deformed drops," currently in press with the Journal of Fluid Mechanics, also available at arXiv:2301.04843.
  12. Ganesh Subramanian et al. presented "An altered streamline topology allows deformed drops to transport mass faster than spherical ones" at Compflu-2023.
  13. A. Mirmira and N. S. Vidhyadhiraja published "Steady-state dc transport through an Anderson impurity coupled to leads with spin-orbit coupling" in Physical Review B, volume 107, article 085107.
  14. V. M. Kulkarni et al. explored "Emergent soft-gap Anderson models at quantum criticality in a lattice Hamiltonian within dynamical mean field theory" in Physical Review B, volume 107, article 205104.

2022

  1. K. Upadhya et al. published "Electronic structure of rare-earth semiconducting ErN thin films determined with synchrotron-radiation photoemission spectroscopy and first-principles analysis" in Phys. Rev. B, 105, 075138.
  2. K. Upadhya et al. explored the "Vibrational Spectrum and Thermal Conductivity of Rare-earth Semiconducting ErN thin films" in Phys. Status Solidi Rapid Research Letters, 2200029.
  3. D. Kalita et al. wrote an invited review on "Strategies to Control the cis-trans Isomerization of Peptoid Amide Bonds" in Chem Asian J., 2022, 17(11), p.e202200149. Link
  4. S. Kapse et al. discussed "Descriptors and graphical construction for in silico design of efficient and selective single atom catalysts for eNRR" in Chemical Science, 10.1039/D2SC02625B.
  5. A. Kar et al. studied the "Evolution of geometric and electronic structures of oxygen-induced superstructures on Mo (110) surface: A LEED, ARPES, and DFT study" in Physical Review B, 106, 045128.
  6. R. Harsh et al. investigated the "Identification and Manipulation of Defects in Black Phosphorus" in The Journal of Phys. Chem. Lett., 13, 27, 6276–6282.
  7. A. Bupathy et al. published "Temperature Protocols to Guide Selective Self-Assembly of Competing Structures" in PNAS, 119(8), Feb 2022.
  8. H. Bhaumik et al. explored "Avalanches, Clusters, and Structural Change in Cyclically Sheared Silica Glass" in Phys. Rev. Lett., 128(9), 098001, Feb 2022.
  9. V. Babu et al. studied the "Criticality and marginal stability of the shear jamming transition of frictionless soft spheres" in Phys. Rev. E., 105 (4) L042901, Apr 2022.
  10. P. Das et al. examined "Crossover in dynamics in the Kob-Andersen binary mixture glass forming liquid" in J. Non-Crystalline Solids: X, 100098, Jun 2022.
  11. Y. Goswami et al. discussed "Liquid-liquid phase transition in deeply supercooled Stillinger-Weber silicon" in PNAS Nexus, 1:4 pgac204, 2022.
  12. A. K. Varanasi et al. published "The rotation of a sedimenting spheroidal particle in a linearly stratified fluid" in the Journal of Fluid Mechanics, volume 933, article A17.
  13. A. K. Varanasi and G. Subramanian explored "Motion of a sphere in a viscous density stratified fluid" in the Journal of Fluid Mechanics, volume 949, article A29.
  14. V. M. Kulkarni et al. published "Kondo effect in a non-Hermitian PT-symmetric Anderson model with Rashba spin-orbit coupling" in Physical Review B, volume 106, article 075113, on August 4, 2022.
  15. V. M. Kulkarni et al. also authored a related paper on the "Kondo effect in a non-Hermitian, PT-symmetric Anderson model with Rashba spin-orbit coupling," available at the DOI link.
  16. S. K. K. et al. discussed "Emergent soft-gap Anderson models at quantum criticality in a lattice Hamiltonian within dynamical mean-field theory," accessible at the DOI link.

2021

  1. R. Kumar et al. published "Clustering of Oxygen Point Defects in Transition Metal Nitrides" in J. Appl. Phys., 129, 055305.
  2. K. Upadhya et al. explored "Reducing high carrier concentration in rocksalt-Al1-xScxN with Mg acceptor doping" in Appl. Phys. Lett., 118, 202107.
  3. B. Sahariah et al. deciphered the "Backbone Noncovalent Interactions that Stabilize Polyproline II Conformation and Reduce cis Proline Abundance in Polyproline Tracts" in J. Phys. Chem. B., 2021, 125, 49, 13394-13405. Link
  4. J. K. R. Deka et al. demonstrated that "nN → π*Ar interactions stabilize the E-ac isomers of arylhydrazides and facilitate their SNAr autocyclizations" in Chem. Commun., 2021, 57, 11236. Link
  5. K. Baruah et al. investigated the "Stabilization of Azapeptides by N(amide)....HN(amide) Hydrogen Bonds" in Org. Lett., 2021, 23, 13, 4949–4954. Link
  6. J. K. R. Deka et al. provided "Evidence of an nN(amide) → π*Ar Interaction in N-Alkyl-N,N′-diacylhydrazines" in Org. Lett., 2021, 23, 18, 7003-7007. Link
  7. A. K. Adak et al. studied "Blue and black phosphorene on metal substrates: a density functional theory study" in J. Phys.: Condens. Matter, 34, 084001.
  8. D. Meier et al. explored "Rotation in an Enantiospecific Self-Assembled Array of Molecular Raffle Wheels" in Angew. Chem. Int. Ed., 60, 26932–26938. (Equal contribution)
  9. D. Acharya et al. investigated "Leveraging Polar Discontinuities to Tune the Binding of Methanol on BCN and Graphene–BN Lateral Heterostructures" in J. Phys. Chem. C, 125 (27), 15012-15024.
  10. V. Babu et al. published "Dilatancy, shear jamming, and a generalized jamming phase diagram of frictionless sphere packings" in Soft Matter, 17, 3121-3127, Feb 2021.
  11. H. Bhaumik et al. examined "The role of annealing in determining the yielding behaviour of glasses under cyclic shear deformation" in PNAS, 118(16) e2100227118, Apr 2021.
  12. A. K. Varanasi and G. Subramanian authored "Motion of a sphere in a viscous density stratified fluid," available at arXiv:2107.14422.
  13. A. K. Varanasi et al. presented "The rotation of a sedimenting anisotropic particle in a linearly stratified ambient," available on arXiv with the identifier arXiv:2102.08580.

2020

  1. S. Chakraborty et al. investigated "Phononic Bandgap and Phonon Anomalies in HfN and HfN/ScN Metal/Semiconductor Superlattices Measured with Inelastic X-ray Scattering" in Appl. Phys. Lett., 117, 111901.
  2. N. Pantha et al. examined "Adsorption of methane on single metal atoms supported on graphene: role of electron back-donation in binding and activation" in J. Chem. Phys. (2020).
  3. M. Bouatou et al. presented "Direct observation of the reduction of a molecule on nitrogen pairs in doped graphene" in Nano Letters, 20, 6908 - 6913 (2020).
  4. D. Sengupta et al. explored "Size-selective Pt siderophores based on redox active azo-aromatic ligands" in Chemical Science, 11, 9226 - 9236 (2020).
  5. S. Ghosh et al. discussed "Support work function as a descriptor and predictor for the charge and morphology of deposited Au nanoparticles" in J. Chem. Phys., 152, 144704 (2020).
  6. D. Acharya et al. studied "Enhanced hydrogen evolution reactivity on Mo2C-Mo2N composites," published in Bulletin of Materials Science (2020). In Press.
  7. S. Narasimhan proposed "A handle on the scandal: data driven approaches to structure prediction" in APL Materials, 8, 040903 (2020).
  8. P. Ramakrishnan et al. reported on "Harvesting Delayed Fluorescence in Perovskite Nanocrystals using Spin Forbidden Mn d states" in ACS Energy Letters, 5, 353 - 359 (2020).
  9. P. Das et al. presented a "Unified phase diagram of reversible-irreversible, jamming and yielding transitions in cyclically sheared soft sphere packings" in PNAS, 117 (19), 10203-10209, Apr 2020.