R. S. Swathi was born in Kurnool, Andhra Pradesh. She did her schooling at Jawahar Navodaya Vidyalaya, Banavasi, Kurnool. She studied an integrated B. Sc. Ed (Physics, Chemistry, Mathematics) (1999-2003) course at Regional Institute of Education, Mysore, Karnataka, India. Subsequently, she obtained an M. Sc. in Chemistry (2003-2005) from Indian Institute of Technology, Guwahati, Assam, India. She did her Ph. D (2005-2010) at the Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore, India under the supervision of Prof. K. L. Sebastian. Since September 2010, Swathi has been working as a faculty member at the Indian Institute of Science Education and Research (IISER), Thiruvananthapuram, Kerala, India.
4. Chris John:
Best Oral Presentation Award, Fourteenth JNC Research Conference on Chemistry of Materials, October 2018.
Title of the presentation: Revisiting Noble Gas Adsorption on Graphene and Boron Nitride Sheets: How Reliable are the Continuum and Atomistic Descriptions?
3. Gudla Harish:
Best Poster Award, Inter IISER and NISER Chemistry Meet, December 2017.
Title of the poster: Atomistic Model Potentials for Binding on Carbon Nanotubes: Lennard-Jones and Pairwise Potential Model.
2. S Chandra Shekar:
Best Poster Award, Chemistry with Computers - An International Symposium in Chemistry, January 2014.
Title of the poster: Stability of Nucleobases Adsorbed on Graphyne and Graphdiyne.Stability of Nucleobases and Base Pairs adsorbed on Graphyne and Graphdiyne
1. Reshmi Thomas:
(a) Best Poster Award, Inter IISER Chemistry Meet, December 2011.
Title of the poster: Optical Effects Near Metal Nanostructures: Towards Surface Enhanced Spectroscopy.
(b) Seventh JNC Conference on Chemistry of Materials, October 2011.
Title of the poster: Optical Effects Near Metal Nanostructures: Towards Surface Enhanced Spectroscopy.
(c) Participant, 63rd Lindau Meeting of Nobel Laureates, Lindau, Germany.
(d) Malhotra-Weikfeld Foundation Nanoscience Fellowship Award, 2012.
The activities of our research group have been in the broad area of Theoretical Chemistry. Our main objective is to provide a fundamental understanding of various chemical systems and phenomena using the methods of theoretical chemistry. We employ analytical and computational approaches involving classical as well as quantum mechanical principles in our research. Our work is mainly focused in the following areas:
1. Continuum approaches for modeling carbon nanostructures such as graphene, carbon nanotubes, fullerenes etc. Our objective is to probe adsorption on carbon-based substrates and encapsulation into carbon nanotubes and fullerenes for sensing, separation and storage applications. We also employ quantum chemical approaches for probing the interactions of atoms, ions, molecules and molecular clusters with the carbon-based materials like graphene, graphene oxide, graphane, graphyne, graphdiyne and carbon nanotubes. We are also interested in developing empirical potential parameters for carbon materials that could yield reasonably accurate results in short computational times. We often employ the electronic structure calculations as a benchmark to develop accurate modeling approaches.
2. Study of optical excitations in metal nanostructures and their utility as substrates in surface-enhanced spectroscopy using classical electrodynamics. We employ approximate analytical approaches and finite-difference time-domain simulations to probe plasmonic features in metal nanostructures. The FDTD simulations are employed as benchmarks for modeling the plasmonic properties of nanostructure aggregates. Quasi-static approximation and coupled dipole approximation are our favourites for plasmonics modeling.
Dr. R. S. Swathi
1. Megha R (Integrated PhD Student)
2. Aswathy Raveendran
3. Medha Prakash (Integrated PhD Student)
4. Shobhita
5. Neenu Joseph
6. Nandu P. S.
1. Niha
1. Dr. Reshmi Thomas (jointly with Prof. K. George Thomas) [Currently employed as Development Editor, American Chemical Society]
2. Dr. Chandra Shekar S [currently employed as Senior Research Scientist, Saphin Group of Companies, Texas USA and Dasceq India]
3. Dr. Rohini K
4. Dr. Owais C H [Currently employed as Mathematical Modeler and Optimization Specialist, SimpleAxis, Portugal]
5. Dr. Anto James [Currently employed as Research Scientist, India Graphene Engineering and Innovation Centre]
6. Dr. Chris John [Currently a postdoc at the University of Pisa, Italy]
1. Devendra Singh (MS Student; 2012-2013)
2. B Sreeganesh (MS Student; 2013-2014) [currently a postdoc at University of Arizona, USA]
3. Daniel Sylvinson (MS Student; 2014-2015)
4. Sanjay Kumar Meena (MS Student; 2014-2015)
5. Mahroof K (MS Student; 2014-2015) [currently a postdoctoral fellow at Korea]
6. Belvin Thomas (MS Student; 2015-2016) [currently a doctoral student at Rutgers University, USA]
7. Aswathi Mohan (MS Student; 2015-2016) [currently a doctoral student at IISER, Pune]
8. Hadiya M A (MS Student; 2016-2017) [currently a doctoral student at Farook College, Calicut]
9. Praveen Roy D S (MS Student; 2016-2017) [currently a project fellow at NCBS, Bangalore]
10. Kushal Singh (MS Student; 2016-2017) [currently a doctoral student at IISc, Bangalore]
11. Rama Dhali (MS Student; 2017-2018) [currently a postdoctoral fellow at Universite de Mons, Belgium]
12. Gudla Harish (MS Student; 2017-2018) [currently a postdoctoral fellow at Uppsala University, Sweden]
13. Prakhar Swarup (MS Student; 2017-2018) [currently a doctoral student at University of Rochester, USA]
14. Narmada Naidu (MS Student; 2018-2019) [currently a postdoctoral fellow at EPFL, Switzerland]
15. Anagha S (MS Student; 2018-2019) [currently a postdoctoral fellow at CEITEC, Czech Republic]
16. Anees Mohammed K P (MS Student; 2018-2019) [currently a doctoral student at University of Rochester, USA]
17. Anvy Kuriakose (MS Student; 2019-2020) [currently a doctoral student at RIce University, USA]
18. Aiswarya M P (MS Student; 2019-2020) [currently a doctoral student at University of Minnesota, USA]
19. Adil Mohammed (MS Student; 2019-2020) [currently a doctoral student at University of Illinois, Chicago, USA]
20. Ajay M K (MS Student; 2020-2021) [currently a doctoral student at Virginia Polytechnic Institute and State University, USA]
21. Parvathy Anupkumar (MS Student; 2020-2021)
22. Sebastian Francis (MS Student; 2020-2021) [currently a doctoral student at University of Iceland, Iceland]
23. Athul S B (MS Student; 2020-2021) [currently a doctoral student at University of Girona, Spain]
24. Adil Aboobacker (MS Student; 2021-2022) [currently a doctoral student at University of Munster, Germany]
25. Monisha V (MS Student; 2021-2022) [currently a doctoral student at Rice University, USA]
26. Akilan Ramasamy (MS Student; 2021-2022) [currently a doctoral student at Tulane University, USA]
27. Nikhila Chandran (MS Student; 2022-2023) [currently a doctoral student at Radboud University, Netherlands]
28. Krishna K S (MS Student; 2022-2023) [currently a doctoral student at Iowa State University, USA]
29. Uttam Suresh (MS Student; 2022-2023) [currently a doctoral student at the University of Tennessee, USA]
30. Arshath Varunsha (MS Student; 2023-2024) [currently a doctoral student at the Texas A&M University, USA]
31. Sarag K (MS Student; 2023-2024) [currently a doctoral student at the University of Wisconsin Madison, USA]
32. Akhil K (MS Student; 2023-2024) [currently a JRF at IISER TVM]
Our group also hosts students for summer projects. Here is the list of students who have visited the group for summer projects (this list does not include a large number of IISER TVM students who have also been part of the group):
1. Reshma Murali, IISER-Mohali (May-2011)
2. Sree Jyothi, IISER-Kolkata (May-2012)
3. Kiran Kumar, Central University of Tamil Nadu (May-2013)
4. Aravind Babu, Central University of Tamil Nadu (May-2013)
5. Job Liyo, Central University of Tamil Nadu (May-2013)
6. P S Kiran Kumar, NIT Trichy (May-2014)
7. Ranjana Venugopal, NIT Calicut (May-2014)
8. Aiswarya Shaji, CMS College, Kottayam (May-2016)
9. Sruthi Jyothi, CMS College, Kottayam (May-2017)
10. Mohd Shoaib Saifi, Jamia Millia Islamia, Delhi (May-2022)
11. Surya Prakash Mohanty, Vellore Institute of Technology, Vellore (May-2022)
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).
At IISER TVM, I am involved in teaching the following courses:
1. Quantum Chemistry
2. Theoretical Spectroscopy
3. Physical Chemistry-I
4. Principles and Applications of Spectroscopy
5. Modeling and Simulations: From Atoms to Materials and Biology
6. Computational Chemistry
7. Chemical and Statistical Thermodynamics
8. Atomic Structure and Chemical Bonding
1. Centre for Computation, Modeling and Simulation (CCMS), Centre of Excellence under the FAST Program, Ministry of Human Resource Development, Government of India
2. Nano Mission, Department of Science and Technology (DST), Government of India
3. Science and Engineering Research Board (SERB), Government of India
4. Imprint, Ministry of Human Resource Development, Government of India
5. Kerala State Council for Science, Technology and Environment (KSCSTE), Government of Kerala
6. India-UK Innovation and Sustainability Chemistry Consortium
7. Core Research Grant, SERB, Government of India
8. ASPIRE grant, Council of Scientific & Industrial Research (CSIR), Government of India
Dr R. S. Swathi
Associate Professor
School of Chemistry
Indian Institute of Science Education and Research
Maruthamala P.O, Vithura
Thiruvananthapuram - 695551
Kerala, India
Phone: 0471-2778079
Email: swathi[at]iisertvm[dot]ac[dot]in
Postdoctoral position is available for highly qualified young scientists to carry out research in my laboratory at the Indian Institute of Science Education and Research Thiruvananthapuram. It is a finite-term, contractual, and full-time position. The initial appointment will be for one year and extendable up to one more year on the basis of performance.
WIISER Spotlight Interview of Dr. R. S. Swathi:
https://scicomm.iiserkol.ac.in/docs/1/pages/swathy.html
Deccan Chronicle Interview of Dr. R. S. Swathi:
https://www.deccanchronicle.com/science/science/070816/insa-awardee-the-scientist-who-makes-a-difference.html
R. S. Swathi was born in Kurnool, Andhra Pradesh. She did her schooling at Jawahar Navodaya Vidyalaya, Banavasi, Kurnool. She studied an integrated B. Sc. Ed (Physics, Chemistry, Mathematics) (1999-2003) course at Regional Institute of Education, Mysore, Karnataka, India. Subsequently, she obtained an M. Sc. in Chemistry (2003-2005) from Indian Institute of Technology, Guwahati, Assam, India. She did her Ph. D (2005-2010) at the Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore, India under the supervision of Prof. K. L. Sebastian. Since September 2010, Swathi has been working as a faculty member at the Indian Institute of Science Education and Research (IISER), Thiruvananthapuram, Kerala, India.
0471 - 277 8115
pasoc@iisertvm.ac.in
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