Personal Information

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, Keralam, India.

Awards and Recognitions

Research Themes

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. One of the group’s core research themes is to develop and implement continuum and atomistic approaches for modeling intermolecular interactions involving carbon nanostructures such as graphene, graphynes, carbon nanotubes, fullerenes etc. We probe adsorption on carbon-based substrates and encapsulation within 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 carbon-based materials like graphene, nanoporous graphene, graphynes, fullerenes, and carbon nanotubes. We develop intermolecular force fields 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. Global optimization of atomic and molecular clusters in pristine and adsorbed forms is yet another area intensely explored in the group. For this, we employ a swarm intelligence technique known as particle swarm optimization (PSO), which falls under the general ambit of artificial intelligence.

2. Yet another research theme of the group is broadly in the area of plasmonics. We employ approximate analytical approaches and finite-difference time-domain (FDTD) simulations to probe plasmonic features in metal nanostructures and their aggregates. The FDTD simulations are employed as benchmarks for modeling the plasmonic properties of nanostructures using analytic approaches. Quasi-static approximation and coupled dipole approximation are our favourites in plasmonics modeling. We design optimal plasmonic substrates for applications in surface-enhanced spectroscopy. 

Research Group

Principal Investigator

Dr. R. S. Swathi

Postdoctoral Fellows

1. Dr. Shalini Joshi

Graduate Students

1. Medha S Prakash
2. Aswathy R
3. Nandu P S
4. Shobhita M
5. Neenu Joseph
6. Hamsavarthini S

BS-MS Students

1. Prajval K
2. Malavika Devi

Alumni of the Group

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):

Publications

For latest publications, see: https://scholar.google.com/citations?user=9ipAiU0AAAAJ&hl=en

Book Chapters/General Articles

Extramural Research Funding

Teaching Areas

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
9. Advanced Quantum Chemistry
10. Numerical Programming and Computational Methods in Chemistry

Professional Service

Within IISER TVM:

• Associate Dean, Research & Development, Consultancies, IISER TVM (2022-2024).
• Dean, Research & Development, Consultancies, IISER TVM (2024-2025).
• Head, School of Chemistry, IISER TVM (2025-till date).
• Vice Chair, Joint Admissions Committee, BS-MS program of all IISERs (2020).

Outside IISER TVM:

• Member, Project Advisory Committee, International Division, Department of Science and Technology (DST), Government of India (2022-2024).
• Participant, Leadership Development in Science and Technology (LEADS), Indian National Science Academy, New Delhi (Sept. 2025).
• IISER TVM Coordinator, Kishore Vigyan Protsahan Yojana (KVPY).

Editorial Activities

• Member, Editorial Advisory Board, Phys. Chem. Chem. Phys., Royal Society of Chemistry (2026-2028).
• Member, Editorial Board, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Elsevier (2024-2026).
• Member, Editorial Advisory Board, ACS Applied Optical Materials, American Chemical Society (2023-2025).
• Member, Editorial Board, Bulletin of Materials Science, Springer Nature (2023-till date).
• Member, Editorial Advisory Board, ACS Applied Materials & Interfaces, ACS Applied Materials & Interfaces, American Chemical Society (2018-2020).

Guest Editorship of Special Issues of Journals:

• Guest Editor, A special themed collection on Structure and Dynamics of Chemical Systems: Honouring N. Sathyamurthy’s 75th Birthday, Phys. Chem. Chem. Phys., Royal Society of Chemistry (2025-2026).
• Guest Editor, K. George Thomas Festschrift, The Journal of Physical Chemistry C, American Chemical Society (2026-present).
• Guest Editor, Special issue of the proceedings of the 34th Annual General Body Meeting of the Materials Research Society of India and the 5th Indian Materials Conclave, Bulletin of Materials Science, Springer Nature (2024-2025).
• Guest Editor, Special issue of the conference proceedings of the Recent Advances in Materials for Energy and Environment Applications, Bulletin of Materials Science, Springer Nature (2024-2025).
• Subject Editor, Section on Clusters and Nanostructures, Comprehensive Computational Chemistry Series, Elsevier (2022-2023).

Public Outreach

• Interview of Dr. R. S. Swathi published in Deccan Chronicle (2016)
  https://www.deccanchronicle.com/science/science/070816/insa-awardee-the-scientist-who-makes-a-difference.html
• Lecture on (De)mystifying Quantum Interference, Entanglement Series, Science and Technology Council, IISER TVM (2021)
  https://www.youtube.com/watch?v=h52VRfJz8Mg
• Lecture on Carbon Membranes for Separating Mixtures: A Theorist’s Perspective, Science Outreach Program, NASI, Delhi Chapter (2021)
  https://www.youtube.com/watch?v=6F304wrSpjY
• Interview of Dr. R. S. Swathi, She Is Women in Chemistry, Beyond Black, Mumbai, India (2025)
  https://www.youtube.com/watch?v=JhHmEuTfcZY
• Interview - Cogito, WIISER women in science series, IISER Kolkata
  https://www.iisertvm.ac.in/assets/uploads/faculty_files/swathi/Cogito-WIISER.pdf
• Lab Showcase, Swathi’s multiscale modelling and computational lab, Synthesis magazine, Chemical Society of IISER Thiruvananthapuram (2023)
  https://www.iisertvm.ac.in/assets/uploads/faculty_files/swathi/Lab_Showcase_-Synthesis_CSIT.pdf

Contact

Dr R. S. Swathi
Professor and Head
School of Chemistry
Indian Institute of Science Education and Research
Maruthamala P.O, Vithura
Thiruvananthapuram - 695551
Keralam, India

Phone: 0471-2778079
Email: swathi[at]iisertvm[dot]ac[dot]in

Personal Information

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, Keralam, India.