Aditi Chandrasekar

Areas of Interest & Expertise

  • Curricular and course development
  • Lab infrastructure set-up
  • Science teaching
  • Research in computational chemistry
  • Teacher education

Biography

Aditi completed an Integrated B.S. – M.S. programme in Chemistry at the Indian Institute of Science Education and Research (IISER), Kolkata. She then earned her PhD from the Indira Gandhi Centre for Atomic Research (IGCAR), a research laboratory under the Homi Bhabha National Institute (HBNI) and the Department of Atomic Energy. During her doctoral work, she explored various experimental and theoretical aspects of actinide complexation.

Following her PhD, Aditi pursued postdoctoral research at the Indian Institute of Science (IISc), Bangalore, where she focussed on computational studies of two-dimensional materials.

Aditi has a deep passion for engaging with young learners and staying connected with science education and research. Her current work centres on computational chemistry, specifically electronic structure calculations using density functional theory. She explores a wide range of topics within chemistry, modeling chemical reactions involving organometallic complexes, homogeneous catalysis, electrochemistry, and small molecule activation.

Aditi is a member of the chemistry faculty at the University, where she continues to contribute to both research and teaching.
 

Courses

Publications

Journal articles

  • Mishra, V., E. P., Athma., Raveendran, D., Chandrasekar, A., & Mahalingam, V. (2025). Co9S8/​CoTe2 n‐​n type heterojunction: A heterogenic interfacial integration of Co9S8 and CoTe2 phases for energy‐​efficient hydrazine oxidation assisted hydrogen production. Small, 10, 2412372.
  • Raveendran, D., Mishra, V., E. P., Athma., Roy, A., Basak, A., Chandrasekar, A., & Mahalingam, V. (2025). Lattice engineering triggered phase formation of bimetallic thiospinels with excellent HzOR and OER activity for energy‐​efficient hydrogen production. ChemCatChem, 17, e202401773.
  • Mitra, A., Paliwal, K. S., Ghosh, G., Bag, S., Roy, A., Chandrasekar, A., & Mahalingam, V. (2023). Diaspore as efficient halide-free catalysts for the conversion of CO2 into cyclic carbonates. Inorganic Chemistry Frontiers.
  • E. P., Athma., Mishra, V., Ganguli, S., Chandrasekar, A., & Mahalingam, V. (2023). Phosphorus-induced one-step synthesis of NiCo2S4 electrode material for efficient hydrazine-assisted hydrogen production. Inorganic Chemistry.
  • Mitra, A., Ghosh, S., Paliwal, K. S., Ghosh, S., Tudu, G., Chandrasekar, A., & Mahalingam, V. (2022). Alumina-based bifunctional catalyst for efficient CO2 fixation into epoxides at atmospheric pressure. Inorganic Chemistry, 61(41), 16356 – 16369.
  • Chandrasekar, A., Suresh, A., Joshi, M., Sundararajan, M., Ghanty, T. K., & Sivaraman, N. (2019). Highly selective separations of U(VI) from a Th(IV) matrix by branched butyl phosphates: Insights from solvent extraction, chromatography and quantum chemical calculations. Separation and Purification Technology, 210, 182 – 194.
  • Chandrasekar, A., Sivaraman, N., Ghanty, T. K., & Suresh, A. (2019). Experimental evidence and quantum chemical insights into extraction and third phase aggregation trends in Ce(IV) organophosphates. Separation and Purification Technology, 217, 62 – 70.
  • Chandrasekar, A., Ghanty, T. K., Brahmmananda Rao, C. V. S., Sundararajan, M., & Sivaraman, N. (2019). Strong influence of weak hydrogen bonding on actinide-phosphonate complexation: Accurate predictions from DFT followed by experimental validation. Physical Chemistry Chemical Physics, 21, 5566 – 5577.
  • Chandrasekar, A., & Ghanty, T. K. (2019). Uncovering heavy actinide covalency: Implications for minor actinide partitioning. Inorganic Chemistry, 58(6), 3744 – 3753.
  • Chandrasekar, A., Joshi, M., & Ghanty, T. K. (2019). On the position of La, Lu, Ac and Lr in the periodic table: A perspective. Journal of Chemical Sciences, 131, 122.
  • Ramanathan, N., Sarkar, S., Sundararajan, K., Chandrasekar, A., & Sankaran, K. (2018). Influence of branching on the conformational space: A case study of tri-secondary-butyl phosphate using matrix isolation infrared spectroscopy and DFT computations. Journal of Physical Chemistry A, 122, 8229.
  • Joshi, M., Ghosh, A., Chandrasekar, A., & Ghanty, T. K. (2018). Counter – intuitive stability in actinide encapsulated metalloid clusters with broken aromaticity. Journal of Physical Chemistry C, 122, 22469.
  • Joshi, M., Chandrasekar, A., & Ghanty, T. K. (2018). Theoretical investigation of M@Pb122− and M@Sn122− Zintl clusters (M = Lrn+, Lun+, La3+, Ac3+ and n = 0, 1, 2, 3). Physical Chemistry Chemical Physics, 20, 15253.
  • Chandrasekar, A., Brahmmananda Rao, C. V. S., Sundararajan, M., Ghanty, T. K., & Sivaraman, N. (2018). Structure modulated complexation of actinides with phosphonates: A combined experimental and quantum chemical investigation. ChemistrySelect, 3(40), 11309 – 11315.
  • Chandrasekar, A., Brahmmananda Rao, C. V. S., Sundararajan, M., Ghanty, T. K., & Sivaraman, N. (2018). Remarkable structural effects on the complexation of actinides with H‑phosphonates: A combined experimental and quantum chemical study. Dalton Transactions, 47, 3841 – 3850.
  • Chandrasekar, A., Suresh, A., & Sivaraman, N. (2017). Third phase formation in the extraction of Th(NO3)4 by tri-sec-butyl phosphate: A comparison with tri-n-butyl phosphate. Radiochimica Acta, 105(4), 321 – 328.
  • Chandrasekar, A., Suresh, A., Aswal, V. K., & Sivaraman, N. (2016). Trends in small angle neutron scattering of actinide – trialkyl phosphate complexes: A molecular insight into third phase formation. RSC Advances, 6(95), 92905 – 92916.
  • Chandrasekar, A., & Pradeep, T. (2012). Luminescent silver clusters with covalent functionalization of graphene. Journal of Physical Chemistry C, 116, 14057 – 14061.

Magazine articles on teacher education

  • Aditi Chandrasekar. (2013, June). Subject of Choice. Teacher Plus.
  • Aditi Chandrasekar. (2013, June). Good Things Come in Small Sizes. Teacher Plus.
  • Aditi Chandrasekar.(2015, October). In the Atomic Heart. Teacher Plus.
  • Aditi Chandrasekar. (2017, August). Learning the E‑way. Teacher Plus.

On-going projects

(i) Small molecule activation in organic pathways

(ii) Electrochemical catalysts

(iii) Metal complexes

(iv) Homogenous catalysis