Publications from IISER TVM:

   56. Megha R, C John, and R S Swathi*, On Assessing the Carbon Capture Performance of Graphynes with Particle Swarm Optimization, Phys. Chem. Chem. Phys., (2024).

   55. J. Ruhe, Megha R, Shoyama K, R S Swathi, and F Wurthner*, A Terrylene Bisimide-based Universal Host for Aromatic Guests to Derive Contact Surface-Dependent Dispersion Energies, Angew. Chem. Int. Ed., 63, e202318451 (2024).

   54. Pallavi Das, A Mazumder, Megha R, R S Swathi*, and Mahesh Hariharan*, Energy Landscape of Perylenediimide Chromophoric Aggregates, Phys. Chem. Chem. Phys., 26, 2007 (2024).

   53. Megha R, and R S Swathi*, Exploring the Energy Landscape of Graphynes for Noble Gas Adsorption using Swarm Intelligence, Artificial Intelligence Chemistry, 2, 100048 (2024).

   52. R S Swathi, and E D Jemmis, Clusters and Nanostructures Bridge Atomic and Molecular World, and the Bulk, Comprehensive Computational Chemistry, 2, 422 (2024).

   51. Ajaykumar MP, R Rajendra, Reshmi Thomas, R S Swathi*, and K George Thomas*, Single-particle Investigation of Plexcitons in Bimetallic Nanorods, 127, 14326 (2023).

   50. Chris John, and R S Swathi*, Global Optimization of Dinitrogen Clusters Bound to Monolayer and Bilayer Graphene: A Swarm Intelligence Approach, J. Phys. Chem. A., 127, 4632 (2023).

   49. Anto James, and R S Swathi*, Halogen Bonding: A Designer Strategy for Graphyne-like Two-dimensional Architectures, Theo. Chem. Acc., 142, 45 (2023).

   48. Aiswarya M P, Anto James, Adil A and R S Swathi*, Unfurling Anion-Pi Interactions Involving Graphynes, ChemPhysChem, 24, e202200548 (2023).

   47. Chris John, Megha R and R S Swathi*, Elucidation of Noble Gas Cluster Configurations Bound on Graphdiyne: A Metaheuristic Approach, Chem.: Asian J., 17, e202200625 (2022).

   46. Anto James, and R S Swathi*, Modeling the Adsorption of Polycyclic Aromatic Hydrocarbons on Graphynes: An Improved Lennard-Jones Formulation, J. Phys. Chem. A., 126, 3472 (2022).

   45. Anto James, Chris John, Ajay MK, Megha R and R S Swathi*, A Journey Towards the Heaven of Chemical Fidelity of Intermolecular Force Fields, Wiley Interdiscip. Rev. Comput. Mol. Sci., 12, e1599 (2022).

   44. Chris John, and R S Swathi*, An Anisotropic Dressed Pairwise Potential Model for the Adsorption of Noble Gases on Boron Nitride Sheets, Phys. Chem. Chem. Phys., 24, 2554 (2022).

   43. Ajay MK, Anto James, Megha R, Chris John and R S Swathi*, In Pursuit of Accurate Interlayer Potentials for Twisted Bilayer Graphynes, Phys. Chem. Chem. Phys., 23, 27031 (2021).

   42. Rohini K, Anto James, and R S Swathi*, Metal-decorated Crown Ether-embedded Graphene Nanomeshes for Enhanced Molecular Adsorption, Adv. Theory Simul., 4, 2100202 (2021).

   41. Hemna Fathima, Nandita Mohandas, Blesson Sam Varghese, Parvathy Anupkumar, R S Swathi* and K George Thomas*, Core-Shell Plasmonic Nanostructures on Au Films as SERS Substrates: Thickness of Film and Quality Factor of Nanoparticle Matter, J. Phys. Chem. C., 125, 16024 (2021).

  40. C John, C Owais, A James and R S Swathi*, Swarm Intelligence Steers a Global Minima Search of Clusters Bound on Carbon Nanostructures, J. Phys. Chem. C., 125, 2811 (2021) [Invited Perspective].

  39. C Owais, C John, and R S Swathi*, Swarm Intelligence Unravels the Confinement Effects for Tiny Noble Gas Clusters within Carbon Nanotubes, Eur. Phys. J. D., 75, 16 (2021) [Invited Article; Special issue on confinement effects].

  38. C Owais, Mahroof K, and R S Swathi*, Encapsulation of Monocyclic Carbon Clusters into Carbon Nanotubes: A Continuum Modeling Approach, Proceedings of the Institution of Mechanical Engineers, Part N: Journal of Nanomaterials, Nanoengineering and Nanosystems, 235, 12 (2021) [Invited Article; Special issue on modeling of nanostructures].

  37. M Mohankumar, M Unnikrishnan, G N Naidu, Sanoop M S, M P Ajaykumar, R S Swathi* and K George Thomas*, Finding the Needle in a Haystack: Capturing Veiled Plexcitonic Coupling through Differential Spectroscopy, J. Phys. Chem. C, 124, 26387 (2020).

  36. C Owais, C John, and R S Swathi*, A Swarm Intelligence Modeling Approach Reveals Noble Gas Cluster Configurations Confined Within Carbon Nanotubes, Phys. Chem. Chem. Phys., 22, 20693 (2020).

  35. A Kuriakose, G N Naidu, and R S Swathi*, Plasmonic Resonances in Ag-Au Nanosphere Heterodimers: How Accurate are the Approximate Analytical Descriptions,   J. Phys. Chem. C, 124, 13858 (2020).

  34. R Dhali, C John, and R S Swathi*, Quantum Transmission of He Isotopes through Crown Ether-Embedded Graphene Nanomeshes: An Eckart Potential Approach,   J. Phys. Chem. A, 123, 7499 (2019).

  33. C Owais, G Aswin, and R S Swathi*, Encapsulation of He Clusters into Carbon Nanotubes: A Modeling Strategy Based on Continuum Approximation anParticle Swarm Optimization, J. Indian Chem. Soc., 96, 1019 (2019) [Invited Article, Special Issue for Young Theoretical Chemists].

  32. Anto James and R S Swathi*, Permeation of Fullerenes through Graphynes: Theoretical Design of Nanomechanical Oscillators,  J. Phys. Chem. C, 123, 10544 (2019) [Invited Article, Virtual Special Issue for Young Scientists].

  31. P T Sujai, M M Joseph, Varsha K, G Saranya, Ramya N A, S Shamjith, Reshmi Thomas, Jyothi B N, R S Swathi and K K Maiti*, Biogenic Cluster-Encased Gold Nanorods as a Targeted Three-in-One Theranostic Nanoenvelope for SERS-Guided Photochemotherapy against Metastatic Melanoma, ACS Applied Bio Materials, 2, 588 (2018).

  30. Mahroof Kalathingal, C Owais, D S Praveen Roy and R S Swathi*, Adsorption of Monocyclic Carbon Rings on Graphene: Energetics Revealed via Continuum Modeling, ACS Omega, 3, 7542 (2018).

  29. Anto James, Chris John, C Owais, Stephen Nagaraju M, S Chandra Shekar, Jyoti R Choudhuri and R S Swathi*, Graphynes: Indispensable Nanoporous     Architectures in Carbon Flatland, RSC Advances, 8, 22998 (2018) [Invited Review].

  28. C Owais, Anto James, Chris John, Rama Dhali and R S Swathi*, Selective Permeation through One-Atom-Thick Nanoporous Carbon Membranes: Theory Reveals    Excellent Design Strategies!, J. Phys. Chem. B, 122, 5127 (2018) [Invited Review, Highlighted as cover].

  27. Hadiya M A, Reshmi Thomas and R S Swathi*, Overwhelming Analogies between Plasmon Hybridization Theory and Molecular Orbital Theory Revealed: The Story   of Plasmonic Heterodimers, J. Phys. Chem. C, 122, 7382 (2018).

  26. Reshmi Thomas, Jatish Kumar, Jino George, M Shanthil, G Narmada Naidu, R S Swathi* and K George Thomas*, Coupling of Elementary Electronic Excitations:   Drawing Parallels Between Excitons and Plasmons, J. Phys. Chem. Lett., 9, 919 (2018) [Invited Perspective, Highlighted as cover].

  25. Reshmi Thomas, Anoop Thomas, Saranya P, Linta J, Sanoop M S, R S Swathi*, Stephen Gray* and K George Thomas*, Plexcitons: The Role of Oscillator Strengths and Spectral Widths in Determining Strong Coupling, ACS Nano, 12, 402 (2018).

  24. S Chandra Shekar and R S Swathi*, Molecular Switching on Graphyne and Graphdiyne: Realizing Functional Carbon Networks in Synergy with Graphene, Carbon, 126, 489 (2018).

  23. S Chandra Shekar, Sanjay Kumar Meena and R S Swathi*, Interlocked Benzenes in Triangular p-architectures: Anchoring Groups Dictate Ion Binding and       Transmission, Phys. Chem. Chem. Phys., 19, 10264 (2017) [Highlighted as cover].

  22. T G Thomas, S Chandra Shekar, R S Swathi* and K R Gopidas*, Triazatruxene Radical Cation: A Trigonal Class III Mixed Valence System, RSC Advances, 7, 821 (2017).

  21. Rohini K and R S Swathi*, Tunable Azacrown-embedded Graphene Nanomeshes for Ion Sensing and Separation, ACS Applied Materials & Interfaces, 9, 999 (2017).

  20. Reshmi Thomas and R S Swathi*, Linear and Polygonal Assemblies of Plasmonic Nanoparticles: Incident Light Polarization Dictates Hot Spots, J. Phys. Chem. C, 120, 18733 (2016).

  19. Rohini K, Daniel SMR and R S Swathi*, Intercalation of HF, H2O and NH3 Clusters within the Bilayers of Graphene and Graphene Oxide: Predictions from Coronene-based Model Systems, J. Phys. Chem. A, 119, 10935 (2015).

   18. S Chandra Shekar and R S Swathi*, Cation-pi Interactions and Rattling Motion through Two-Dimensional Carbon Networks: Graphene vs Graphynes, J. Phys. Chem. C, 119, 8912 (2015).

   17. B Sree Ganesh, Devendra Singh and R S Swathi*, Noble Gas Encapsulation into Carbon Nanotubes: Predictions from Analytical Model and DFT Studies, J. Chem. Phys., 141, 184304 (2014).

   16. Jatish Kumar, Reshmi Thomas, R S Swathi* and K George Thomas*, Au Nanorod Quartets and Raman Signal Enhancement: Towards the Design of Plasmonic   Platforms, Nanoscale, 6, 10454 (2014).

   15. S Chandra Shekar and R S Swathi*, Stability of Nucleobases and Base Pairs Adsorbed on Graphyne and Graphdiyne, J. Phys. Chem. C, 118, 4516 (2014).

   14. Rohini K and R S Swathi*, Host-Guest Interactions in the Confined Geometries Formed from Molecular Aggregates of Push-Pull Molecules, J. Phys. Chem. A, 117, 5794 (2013).

   13. S. Chandra Shekar and R S Swathi*, Rattling Motion of Alkali Metal Ions through the Model Compounds of Graphyne and Graphdiyne, J. Phys. Chem. A, 117, 8632 (2013).

   12. Reshmi Thomas and R S Swathi*, Organization of Metal Nanoparticles for Surface-enhanced Spectroscopy: A Difference in Size Matters, J. Phys. Chem. C, 116, 21982 (2012).

   11. M Shanthil, Reshmi Thomas, R S Swathi* and K George Thomas*, Ag@SiO2 Core-Shell Nanostructures: Distance-Dependent Plasmon Coupling and SERS Investigation, J. Phys. Chem. Lett., 3, 1459 (2012).

   10. Reshmi Thomas, Jatish Kumar, R S Swathi* and K George Thomas, Optical Effects near Metal Nanostructures: Towards Surface-enhanced Spectroscopy, Curr. Sci., 102, 85 (2012).

    9. Amol M Vibhute, Rajesh G Gonnade, R S Swathi and Kana M Sureshan*, Strength from Weakness: Oppurtunistic CH...O Hydrogen Bonds Differentially Dictate the Conformational Fate in Solid and Solution States, Chem. Commun., 48, 717 (2012).

Publications from IISER TVM and IISc:

     8. R S Swathi and K L Sebastian*, Excitation Energy Transfer from Dye Molecules to Doped Graphene, J. Chem. Sci, 124, 233 (2012).

Publications before joining IISER TVM:

     7. R S Swathi and K L Sebastian*, Excitation Energy Transfer from a Fluorophore to Single-walled Carbon Nanotubes, J. Chem. Phys, 132, 104502 (2010).

     6. R S Swathi and K L Sebastian*, Distance Dependence of Fluorescence Resonance Energy Transfer, J. Chem. Sci, 121, 777 (2009).

     5. R S Swathi and K L Sebastian*,  Long-range Resonance Energy Transfer from a Dye Molecule to Graphene has (distance)-4 Dependence, J. Chem. Phys, 130, 086101 (2009).

     4. R S Swathi and K L Sebastian*, Resonance Energy Transfer from a Dye Molecule to Graphene, J. Chem. Phys, 129, 054703 (2008).

     3. R S Swathi and K L Sebastian*, Resonance Energy Transfer from a Fluorescent Dye Molecule to Plasmon and Electron-hole Pair Excitations of a Metal Nanoparticle, J. Chem. Phys, 126, 234701 (2007).

     2. Panchanan Puzari, R S Swathi, Biplab Sarkar and Satrajit Adhikari*, A Quantum-classical Approach to the Photoabsorption Spectrum of Pyrazine, J. Chem. Phys, 123, 134317 (2005).

     Book Chapters:

     1. R S Swathi and K L Sebastian*, Excitation Energy Transfer from Fluorophores to Graphene (Chapter 10), Concepts and Methods in Modern Theoretical Chemistry, Taylor & Francis Group, CRC Press (2013).