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, Dominant Scattering Mechanisms in Limiting the Electron Mobility of Scandium Nitride, Nano Letters, 2024.

  1. N. Shukla, S. Rudra, R. Karanje, D. Mukhopadhyay, P. Das, B. Biswas, M. Baral, M. Gupta, and B. Saha, Strain-Induced Valence Band Splitting Enabling Above-Bandgap Exciton Luminescence in Epitaxial Mg3N2 Thin Films, Chem. Mater., 36, 11, 5563–5573, 2024.

  1. Deka J. K. R, Sahariah B, Sarma B K J, Understanding the Cis-Trans Amide Bond Isomerization of N,N’-Diacylhydrazines to Develop Guidelines for A Priori Prediction of Their Most Stable Solution Conformers,  Org. Chem. 89(15), 10419-10433, 2024.

  1. Pavan K. Singeetham, Sumesh P. Thampi and Ganesh Subramanian, A Singularly altered streamline topology allows faster transport from deformed drops, J Fluid Mech 997, A39, 2024.

  1. Hongxiang Xu, Ritam Chakraborty, Dr. Abhishek Kumar Adak, Arpan Das, Dr. Biao Yang, Dennis Meier, Dr. Alexander Riss, Dr. Joachim Reichert, Prof. Shobhana Narasimhan, Prof. Johannes V. Barth, Dr. Anthoula C. Papageorgiou, On-Surface Isomerization of Indigo within 1D Coordination Polymers, Angew. Chem. Int. Ed. 2024, 63, e202319162, 2024.

  1. Sohini Chatterjee, Soumik Ghosh, Nalina Vadakkayil, Tanay Paul, Sanat K. Singha and Subir K. Das, Mpemba effect in pure spin systems: A universal picture of the role of spatial correlations at initial states, Phys. Rev. E 110, L012103, 2024.

  1. Soumik Ghosh, Purnendu Pathak, Sohini Chatterjee and Subir K. Das, Simulations of Mpemba Effect in WATER, Lennard-Jones and Ising Models: Metastability vs Critical Fluctuations, arXiv preprint arXiv:2407.06954, 2024.
  2. Subir K. Das, Finite-size behaviour in phase transitions and scaling in the progress of an epidemic, Physica A 646, 129871, 2024.

  1. Tanay Paul, Nalina Vadakkayil and Subir K. Das, Finite-size scaling in Kinetics of phase separation in certain models of aligning active particles, Phys. Rev. E 109, 064607, 2024.

  1. Soumik Ghosh and Subir K. Das, Nonuiversal aging during phase separation with long-range interaction, Phys. Rev. E 109, L052102, 2024.

  1. R. Jena, F. A. Rahimi, T. Mandal, T. N. Das, S. R. V. Parambil, S. K. Mondal, T. K. Maji, Photocatalytic CO₂ Reduction to Solar Fuels by a Chemically Stable Bimetallic Porphyrin-Based Framework, Inorg. Chem., 2024.

  1. S. Biswas, F. A. Rahimi, K. Saravanan, A. Dey, J. Chauhan, D. Surendran, S. Nath, T. K. Maji, A Triazole-Based Covalent Organic Framework as a Photocatalyst toward Visible-Light-Driven CO₂ Reduction to CH₄, Chem. Sci., 2024.

  1. R. Jena, F. A. Rahimi, S. Karmakar, A. Dey, D. Kalita, T. N. Das, T. K. Maji, Eletron Rich Guest Regulated Enhanced CO₂ Reduction in a Multivariate Porous Coordination Polymer, Adv. Funct. Mater. 2407721, 2024.

  1. F. A. Rahimi, A. Singh, R. Jena, A. Dey, T. K. Maji, GFP Chromophore Integrated Conjugated Microporous Polymers toward Bio-inspired Photocatalytic CO₂ Reduction to CO, ACS Appl. Mater. Interfaces, 16, 43171-43179, 2024.

  1. R. K. Saravanan, S. Karmakar, F. A. Rahimi, A. Dey, R. Jena, D. Maity, T. K. Maji, Metallo-Porous Organic Polymer as a CO₂ Reduction Catalyst toward Selective Solar Fuel Production, Chem. Mater, 36, 13, 6410-6420, 2024.

  1. A. Dey, S. Chakraborty, A. Singh, F. A. Rahimi, S. Biswas, T. Mandal, T. K. Maji, Microwave Assisted Fast Synthesis of a Donor-Acceptor COF towards Photooxidative Amidation Catalysis, Angew. Chem. Int. Ed. E202403093, 2024.

  1. S. Barman, A. Dey, F. A. Rahimi, V. R. Bakuru, R. Jena A. Ghosh, T. K. Maji, Redox-Active Covalent Organic Nanosheet (CON) as Metal-free Electrocatalyst for Selective CO₂ Electro-Reduction to Liquid Fuel Methanol, J. Mater. Chem. A, 12, 13266-13272, 2024.

  1. M. Maji, S. Dutta, R. Jena, A. Dey, T. K. Maji, S. K. Pati, S. Bhattacharyya, Hydrogen Evolution in Neutral Media by Differential Intermediate Binding at Charge-modulated Sites of a Bimetallic Alloy Electrocatalyst, Angew. Chem. Int. Ed. E202403697, 2024.

  1. N. Sikdar, S. Laha, R. Jena, A. Dey, F. A. Rahimi, T. K. Maji, An Adsorbate Biased Dynamic 3D Porous Framework for Inverse CO₂ Sieving over C₂H₂, Chem. Sci., 15, 7698-7706, 2024.

  1. A. Dey, J. Pradhan, S. Biswas, F. A. Rahimi, K. Biswas, T. K. Maji, COF-Topological Quantum Material Nano-heterostructure for CO₂ to Syngas Production under Visible Light, Angew. Chem. Int. Ed, e202315596, 2024.

  1. A Singh, S. Barman, F. A. Rahimi, A. Dey, R. Jena, R. Kumar, D. Bhattacharyya, T. K. Maji, Atomically Dispersed CO₂ in a Redox-Active COF for Electrochemical CO₂ Reduction to Ethanol: Unravelling Mechanistic Insight through Operando Studies, Energy Environ. Sci., 17, 2315-2325, 2024.

  1. Sharath Kumar Channarayappa, Sankalp Kumar, N S Vidhyadhiraja, Sumiran Pujari, M P Saravanan, Amal Sebastian, Eun Sang Choi, Shalinee Chikara, Dolly Nambi, Athira Suresh, Siddhartha Lal, D Jaiswal-Nagar, Tomonaga–Luttinger liquid and quantum criticality in spin-12 antiferromagnetic Heisenberg chain C14H18CuN4O10 via Wilson ratio, PNAS Nexus, Volume 3, Issue 9, pgae363, 2024.

  1. S. R. Hassan, Gopal Prakash, N. S. Vidhyadhiraja, T. V. Ramakrishnan, Strong Local Bosonic Fluctuation: The Key to Understanding Strongly Correlated Metals, Physical Review B 110, 075106 – 2024.

2023

  1. S. Rudra, D. Rao, S. Ponce, and B. Saha, Reversal of Band-Ordering Leads to High Hole Mobility in Strained p-type Scandium Nitride, Nano Letters, 23(17), 8211-8217, 2023.

  1. B. Biswas, S. Rudra, R. S. Rawat, N. Pandey, S. Acharya, A. Joseph, A. I. K. Pillai, M. Bansal, M. de hora, D. P. Panda, A. B. Dey, F. Bertram, C. Narayana, J. MacManus-Driscoll, T. Maity, M. Garbrecht, and  B. Saha, Magnetic stress-driven metal-insulator transition in strongly correlated antiferromagnetic CrN, Phys. Rev. Lett., 131, 126302, 2023.

  1. D. Mukhopadhyay, S. Rudra, B. Biswas, P. Das, and B. Saha, Surface scattering-dependent electronic transport in ultrathin scandium nitride films, Appl. Phys. Lett., 123, 192101, 2023.

  1. Deka J. K. R, Sahariah B, Sarma B K J, Understanding the Cis-Trans Amide Bond Isomerization of N, N’-Diacylhydrazines to Develop Guidelines for A Priori Prediction of Their Most Stable Solution Conformers, Org. Chem. 89(15), 10419-10433, 2023.

  1. Baruah K, Kalita D, Sahariah B, Deka J. K. R, Vishnoi P, Sarma B. K, Sidechain-Backbone Tetrel Bonding Interactions Provide a General Mechanism for transpeptoid Stabilization, Chem. Eur. J. 29(32), p.e202300178, 2023.

  1. Deka J. K. R, Borah D, Das P, Sahariah B, Vishnoi P, Sarma B K, Synergistic n→π* and nN→π*Ar interactions in C-terminal modified prolines: Effect on Xaa-Pro cis/trans equilibrium, Chem. Commun. 59(40), pp.6080-6083, 2023.

  1. Anshulata, Vishnoi P, Sarma B K, Conformational Studies of β-Azapeptoid Foldamers: A New Class of Peptidomimetics with Confined Dihedrals, Chem. Eur. J. 30(6), p.e202303330, 2023.

  1. Ganesh Subramanian, Pavan K. Singeetham and Sumesh P. Thampi, An altered streamline topology allows deformed drops to transport mass faster than spherical ones, Compflu, 2023.

  1. Saptarshi Chakraborty, Gauttam Dash, Subhashri Mannar, Krishna Maurya, Arpan Das, Shobhana Narasimhan, Bivas Saha, Ranjani Viswanatha, Non-resonant Exciton-Plasmon Interaction in Metal-Chalcogenide CuxS/ Perovakite (CsPbBr3) Based Colloidal Heterostructure, J. Phys. Chem. C, 127, 31, 15353–15362, 2023.

  1. Y. Goswami, S. Sastry, Kinetic reconstruction of free energies as a function of multiple order parameters, J. Chem. Phys. 158, 144502, Apr 2023.

  1. M. Adhikari, S. Karmakar, S. Sastry, Dependence of the glass transition and jamming densities on spatial dimension, Phys. Rev. Lett. 131(16), 168202, 2023.

  1. Anirudha Mirmira and N. S. Vidhyadhiraja, Steady-state dc transport through an Anderson impurity coupled to leads with spin-orbit coupling, Phys. Rev. B 107, 085107, 2023.

  1.  V.M.  Kulkarni, N. S. Vidhyadhiraja, Sudeshna Sen, Emergent soft-gap Anderson models at quantum criticality in a lattice Hamiltonian within dynamical mean field theory, Phys. Rev. B 107, 205104, 2023.

2022

  1. K. Upadhya, R. Kumar, M. Baral, S. Tripathi, S. N. Jha, T. Ganguli, and B. Saha, Electronic structure of rare-earth semiconducting ErN thin films determined with synchrotron-radiation photoemission spectroscopy and first-principles analysis, Phys. Rev. B, 105, 075138, 2022.

  1. K. Upadhya, R. Kumar, Q. Li, B. Sun and B. Saha, Vibrational Spectrum and Thermal Conductivity of Rare-earth Semiconducting ErN thin films, Phys. Status Solidi Rapid Research Letters, 2200029, 2022.

  1. Kalita D, Sahariah B, Mookerjee S P, Sarma B K, Strategies to Control the cis-trans Isomerization of Peptoid Amide Bonds, Chem Asian J. 17(11), p.e202200149, 2022.

  1. Arun Kumar Varanasi, Navaneeth K Marath, Ganesh Subramanian, The rotation of a sedimenting spheroidal particle in a linearly stratified fluid, Journal of Fluid Mechanics, 933, A17, 2022.

  1. Arun Kumar Varanasi, Ganesh Subramanian, Motion of a sphere in a viscous density stratified fluid, Journal of Fluid Mechanics, 949, A29, 2022.

  1. Samadhan Kapse, Shobhana Narasimhan and Ranjit Thapa, Descriptors and graphical construction for in silico design of efficient and selective single atom catalysts for eNRR, Chemical Science, 10.1039/D2SC02625B, 2022.

  1. Arunava Kar, Arpan Das, Smruthi Ranjan Mohanty, Shobhana Narasimhan and Krishnakumar S. R. Menon, Evolution of geometric and electronic structures of oxygen-induced superstructures on Mo (110) surface: A LEED, ARPES, and DFT study, Physical Review B, 106, 045128, 2022.

  1. Rishav Harsh, Sourav Mondal, Devina Sharma, Mehdi Bouatou, Cyril Chacon, Maxim Ilyn, Celia Rogero, Vincent Repain, Amandine Bellec, Yann Girard, Sylvie Rousset, Raman Sankar, Woei Wu Pai, Shobhana Narasimhan, Jérôme Lagoute, Identification and Manipulation of Defects in Black Phosphorus, The Journal of Phys. Chem. Lett., 13, 27, 6276–6282, 2022.

  1. A. Bupathy, D. Frenkel, S. Sastry, Temperature Protocols to Guide Selective Self-Assembly of Competing Structures, PNAS 119(8), Feb 2022.

  1. H. Bhaumik, G. Foffi, S. Sastry, Avalanches, Clusters and Structural Change in Cyclically Sheared Silica Glass, Phys. Rev. Lett. 128(9), 098001, Feb 2022.

  1. V. Babu, S. Sastry, Criticality and marginal stability of the shear jamming transition of frictionless soft spheres, Phys. Rev. E. 105 (4) L042901, Apr 2022.

  1. P. Das, S. Sastry, Crossover in dynamics in the Kob-Andersen binary mixture glass forming liquid, J. Non-Crystalline Solidas:X, 100098, Jun 2022.

  1. Y. Goswami, S. Sastry, Liquid-liquid phase transition in deeply supercooled Stillinger-Weber silicon, PNAS Nexus 1:4 pgac204, 2022.

  1. Vinayak M. Kulkarni, Amit Gupta, and N. S. Vidhyadhiraja, Kondo effect in a non-Hermitian PT-symmetric Anderson model with Rashba spin-orbit coupling, Phys. Rev. B 106, 075113, 2022.

2021

  1. R. Kumar, S. Nayak, V. Bhatia, A. I. K. Pillai, M. Garbrecht, M. Gupta, S. M. Shivaprasad, and B. Saha, Clustering of Oxygen Point Defects in Transition Metal Nitrides, J. Appl. Phys., 129, 055305, 2021.

  1. K. Upadhya, D. Rao, B. Biswas, R. Kumar, V. Bhatia, A. I. K. Pillai, M. Garbrecht, and B. Saha., Reducing high carrier concentration in rocksalt-Al1-xScxN with Mg acceptor doping, Appl. Phys. Lett., 118, 202107, 2021.

  1. Sahariah B, Sarma B K, Deciphering the Backbone Noncovalent Interactions that Stabilize Polyproline II Conformation and Reduce cis Proline Abundance in Polyproline Tracts, J. Phys. Chem, B, 125, 49, 13394-13405, 2021.

  1. Deka J. K. R, Kalita D, Sahariah B, Sarma B K, nN → π* Ar interactions stabilize the E-ac isomers of arylhydrazides and facilitate their SNAr autocyclizations, Chem. Commun, 57, 11236, 2021.

  1. Kalpita Baruah, Sahariah B, Sakpak S. S, Deka J. K. R, Bar A. K, Bagchi S, Sarma B K, Stabilization of Azapeptides by N(amide)….HN(amide) Hydrogen Bonds,  Org. Lett. 23, 13, 4949-4954, 2021.

  1. Deka J. K. R, Sahariah B, Sakpal S. S, Bar A. K. Bar, Bagchi S, Sarma B K, Evidence of an nN(amide) → π*Ar Interaction in N-Alkyl-N,N′-diacylhydrazines Org. Lett. 23, 18, 7003-7007, 2021.

  1. Arun Kumar Varanasi, Navaneeth K Marath, Ganesh Subramanian, The rotation of a sedimenting anisotropic particle in a linearly stratified ambient, arXiv preprint arXiv:2102.08580, 2021.

  1. Abhishek K Adak, Devina Sharma and Shobhana Narasimhan, Blue and black phosphorene on metal substrates: a density functional theory study, J. Phys.: Condens. Matter 34 084001, 2021.

  1. Dennis Meier, Abhishek K Adak, Peter Knecht, Joachim Reichert, Sourav Mondal, Nithin Suryadevara, Senthil Kumar Kuppusamy, Keitaro Eguchi, Matthias K. Muntwiler, Francesco Allegretti, Mario Ruben, Johannes V. Barth, Shobhana Narasimhan, and Anthoula C. Papageorgiou, Angew, Rotation in an Enantiospecific Self-Assembled Array of Molecular Raffle Wheels, Chem. Int. Ed. 60, 26932–26938, 2021.

  1. Debdipto Acharya, Kanchan Ulman, Shobhana Narasimhan, Leveraging Polar Discontinuities to Tune the Binding of Methanol on BCN and Graphene–BN Lateral Heterostructures, J Phys Chem. C, 125 (27), 15012-15024, 2021.

  1. V. Babu, D. Pan, Y. Jin, B. Chakraborty and S. Sastry, Dilatancy, shear jamming and a generalized jamming phase diagram of frictionless sphere packings, Soft Matter, 2021, 17, 3121-3127, Feb 2021.

  1. H. Bhaumik, G. Foffi, S. Sastry, the role of annealing in determining the yielding behaviour of glasses under cyclic shear deformation, PNAS 118(16) e2100227118, Apr 2021.

2020

  1. S. Chakraborty, H. Uchiyama, M. Garbrecht, V. Bhatia, A. I. K. Pillai, J. P. Feser, D. Adroja, S. Langridge and B. Saha. Phononic Bandgap and Phonon Anomalies in HfN and HfN/ScN Metal/Semiconductor Superlattices Measured with Inelastic X-ray Scattering, Appl. Phys. Lett., 117, 111901, 2020.

  1. N. Pantha, K. Ulman and S. Narasimhan, Adsorption of methane on single metal atoms supported on graphene: role of electron back-donation in binding and activation, J. Chem. Phys., 2020.

  1. M. Bouatou, S. Mondal, C. Chacon, F. Joucken, Y. Girard, V. Repain, A. Bellec, S. Rousset, S. Narasimhan, R. Sporken, Y. Dappe and J. Lagoute, Direct observation of the reduction of a molecule on nitrogen pairs in doped graphene, Nano Letters, 20, 6908 – 6913, 2020. 

  1. D. Sengupta, S. Goswami, R. Banerjee, M.J. Guberman-Pfeffer, A. Patra, A. Dutta, R. Pramanick, S. Narasimhan, N. Pradhan, V. Batista, T. Venkatesan and S. Goswami, Size-selective Pt siderophores based on redox active azo-aromatic ligands, Chemical Science, 11, 9226 – 9236, 2020.

  1. Sukanya Ghosh, Nisha Mammen and Shobhana Narasimhan, Support work function as a descriptor and predictor for the charge and morphology of deposited Au nanoparticles, J. Chem. Phys., 152, 144704, 2020.

  1. Debdipto Acharya, Kasinath Ojha, Nisha Mammen, Preeti Dagar, Sourav Mondal, Ashok K Ganguli and Shobhana Narasimhan, Enhanced hydrogen evolution reactivity on Mo2C-Mo2N composites, Bulletin of Materials Science, In Press, 2020.

  1. Shobhana Narasimhan, A handle on the scandal: data driven approaches to structure prediction, APL Materials, 8, 040903, 2020.

  1. Pradeep Ramakrishnan, Debdipto Acharya, Priyanka Jain, Kushagra Gahlot, Anu Yadav, Andrea Camellini, Margherita Zavellani-Rossi, Giulio Cerullo, Chandrabhas Narayana, Shobhana Narasimhan and Ranjani Viswanatha, Harvesting Delayed Fluorescence in Perovskite Nanocrystals using Spin Forbidden Mn d states, ACS Energy Letters, 5, 353 – 359, 2020.

  1. P. Das, Vinutha H. A. and S. Sastry, Unified phase diagram of reversible-irreversible, jamming and yielding transitions in cyclically sheared soft sphere packings, PNAS 117(19), 10203-10209, Apr 2020.