Aditi Chandrasekar

Areas of Interest & Expertise

Teacher Education, Curriculum Development, Chemistry Teaching, Research, Administration


Aditi Chandrasekar is a faculty with the School of Arts and Sciences.

She has a PhD (Chemical Science) from Homi Bhabha National Institute, Mumbai, Maharashtra. She has earlier worked with the Indian Institute of Science, Bengaluru, Karnataka, as a Post-Doctoral Research Associate. Her research interests include computational chemistry, density functional theory, f‑block elemental separations, analytical chemistry, nanoscale materials and computation in material science.

Publications and Writings

Research Publications

  • Aditi Chandrasekar and T. Pradeep, Luminescent Silver Clusters with Covalent Functionalization of Graphene, J. Phys. Chem. C, 2012, 116, 14057 – 14061.
  • Aditi Chandrasekar, A. Suresh, V. K. Aswal and N. Sivaraman. Trends in Small Angle Neutron Scattering of Actinide – trialkyl Phosphate Complexes: a Molecular Insight into Third Phase Formation. RSC Advances, 2016, 6 (95), 92905 – 92916.
  • Aditi Chandrasekar, A. Suresh and N. Sivaraman. Third Phase Formation in the Extraction of Th(NO 3 ) 4 by Tri-sec-butyl phosphate: a Comparison with Tri-n-butyl phosphate. Radiochim. Acta 2017; 105 (4), 321 – 328.
  • Aditi Chandrasekar, C.V.S. Brahmmananda Rao, Mahesh Sundararajan, Tapan K. Ghanty, and N. Sivaraman. Remarkable Structural Effects on the Complexation of Actinides with H‑phosphonates: A Combined Experimental and Quantum Chemical Study. Dalton Trans. 2018, 47, 3841 – 3850.
  • Aditi Chandrasekar, C.V.S. Brahmmananda Rao, Mahesh Sundararajan, Tapan K. Ghanty, N. Sivaraman. Structure Modulated Complexation of Actinides with Phosphonates: A Combined Experimental and Quantum Chemical Investigation. Chemistry Select, 2018, 3(40), 11309 – 11315.
  • Aditi Chandrasekar, A. Suresh, Meenakshi Joshi, Mahesh Sundararajan, Tapan K. Ghanty, and N. Sivaraman. 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, 2019, 210, 182 – 194.
  • Aditi Chandrasekar, N. Sivaraman, Tapan K. Ghanty and A. Suresh. Experimental evidence and quantum chemical insights into extraction and third phase aggregation trends in Ce(IV) organophosphates. Separation and Purification Technology, 2019, 217, 62 – 70.
  • Aditi Chandrasekar, Tapan K. Ghanty, C.V.S. Brahmmananda Rao, Mahesh Sundararajan, and N. Sivaraman. Strong Influence of Weak Hydrogen Bonding on Actinide-Phosphonate Complexation: Accurate Predictions from DFT Followed by Experimental Validation. Physical Chemistry Chemical Physics, 2019,21, 5566 – 5577.
  • Aditi Chandrasekar and Tapan K. Ghanty. Uncovering Heavy Actinide Covalency: Implications for Minor Actinide Partitioning. Inorganic Chemistry, 2019, 58 (6),3744 – 3753
  • Meenakshi Joshi, Aditi Chandrasekar and Tapan K. Ghanty. Theoretical investigation of M@Pb122− and M@Sn122− Zintl clusters (M = Lr n+ , Lu n+ , La 3+ , Ac 3+ and n = 0, 1, 2, 3). Phys. Chem. Chem. Phys., 2018, 2015253.
  • Meenakshi Joshi, Ayan Ghosh, Aditi Chandrasekar and Tapan K. Ghanty Counter– Intuitive Stability in Actinide Encapsulated Metalloid Clusters with Broken Aromaticity. J.Phys. Chem. C. 2018, 12222469.
  • N. Ramanathan, Shubhra Sarkar, K.Sundararajan, Aditi Chandrasekar, K. Sankaran. Influence of Branching on the Conformational Space: A Case Study of Tri-secondary-Butyl Phosphate using Matrix Isolation Infrared Spectroscopy and DFT Computations. J. Phys.Chem. A, 2018, 1228229.
  • Aditi Chandrasekar, Meenakshi Joshi and Tapan K. Ghanty. On the position of La, Lu, Ac and Lr in the periodic table: a perspective. J. Chem. Sci., 2019, 131122

Articles on Education/​Teacher Education

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

On-going Projects

(i) Energetics and binding in borophene monolayers and bilayers

(ii) Biological applications of ionic liquids

(iii) Design of molecules for fluoride sensing

(iv) Specificity and energetics of actinide extraction by organic based extractants