Aditi Chandrasekar

Areas of Interest & Expertise

Computational chemistry, Physical and Inorganic Chemistry, Curricular and Course Development, Nanoscience, Teaching, Teacher Education

Biography

Science has excited me since childhood and continues to keep me captivated by its wonders. I have majored in chemistry; nevertheless, cherish physics, mathematics and their interfaces with chemistry. Even as a teacher, I remain a student of science and its lessons on nature. During my PhD I worked on experimental and theoretical aspects of actinide complexation; evaluating specific extractants for nuclear fuel processing. I carried out my research at Indira Gandhi Centre for Atomic Research (IGCAR) under the Department of Atomic Energy. Nuclear energy has emerged as one of the important alternatives to fossil fuels. Research on nuclear power has a vital role towards self-reliant and sustainable energy production. My post doctoral research (at Indian Institute of Science) involved computational studies on 2D materials and heterostructures. I continue to be interested in computational research and especially relating these to experimental findings. 

Young people are enthusiastic, unconditioned and untouched by several biases. Interacting with young minds and teaching science is my favourite occupation. In my spare time I enjoy practicing music, travelling often and reading both fiction and non-fiction. 


Publications

Journal Articles

  • Aditi Chandrasekar and T. Pradeep. (2012). Luminescent Silver Clusters with Covalent Functionalization of Graphene. J. Phys. Chem. C, 116, 14057 – 14061
  • Aditi Chandrasekar, A. Suresh, V. K. Aswal and N. Sivaraman. (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.
  • Aditi Chandrasekar, A. Suresh and N. Sivaraman.(2017). Third Phase Formation in the Extraction of Th (NO3)4 by Tri-sec-butyl phosphate: a Comparison with Tri-n-butyl phosphate. Radiochim. Acta, 105 (4), 321 – 328.
  • Aditi Chandrasekar, C.V.S. Brahmmananda Rao, Mahesh Sundararajan, Tapan K. Ghanty, and N. Sivaraman. (2018). Remarkable Structural Effects on the Complexation of Actinides with H‑phosphonates: A Combined Experimental and Quantum Chemical Study. Dalton Trans. , 47, 3841 – 3850.
  • Aditi Chandrasekar, C.V.S. Brahmmananda Rao, Mahesh Sundararajan, Tapan K. Ghanty, N. Sivaraman. (2018). Structure Modulated Complexation of Actinides with Phosphonates: A Combined Experimental and Quantum Chemical Investigation. Chemistry Select, 3(40), 11309 – 11315.
  • Aditi Chandrasekar, A. Suresh, Meenakshi Joshi, Mahesh Sundararajan, Tapan K. Ghanty, and N. Sivaraman. (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.
  • Aditi Chandrasekar, N. Sivaraman, Tapan K. Ghanty and A. Suresh. (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.
  • Aditi Chandrasekar, Tapan K. Ghanty, C.V.S. Brahmmananda Rao, Mahesh Sundararajan, and N. Sivaraman. (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.
  • Aditi Chandrasekar and Tapan K. Ghanty. (2019). Uncovering Heavy Actinide Covalency: Implications for Minor Actinide Partitioning. Inorganic Chemistry, 58 (6),3744 – 3753
  • Meenakshi Joshi, Aditi Chandrasekar and Tapan K. Ghanty. (2018). Theoretical investigation of M@Pb122− and M@Sn122− Zintl clusters (M = Lrn+, Lun+, La3+, Ac3+ and n = 0, 1, 2, 3). Phys. Chem. Chem. Phys., 20, 15253.
  • Meenakshi Joshi, Ayan Ghosh, Aditi Chandrasekar and Tapan K. Ghanty. (2018). Counter– Intuitive Stability in Actinide Encapsulated Metalloid Clusters with Broken Aromaticity. J.Phys. Chem. C., 122, 22469.
  • N. Ramanathan, Shubhra Sarkar, K.Sundararajan, Aditi Chandrasekar, K. Sankaran. (2018). 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, 122, 8229.
  • Aditi Chandrasekar, Meenakshi Joshi and Tapan K. Ghanty. (2019). On the position of La, Lu, Ac and Lr in the periodic table: a perspective. J. Chem. Sci., 131, 122

Conference papers

  • Aditi Chandrasekar, A. Suresh, N. Sivaraman and V.K Aswal. (2016, May 17 – 20). Small Angle Neutron Scattering of Tri-n-butyl Phosphate and its Isomers loaded with Thorium Nitrate. Proc. Emerging Trends in Separation Science and Technology (SESTEC-2016), IIT-Guwahati, India. (P.207).
  • Aditi Chandrasekar, A. Suresh and N. Sivaraman. (2016, May 17 – 20). Third Phase Formation in the extraction of Th(NO3)4 by Tri-n-butyl Phosphate and Tri-sec-butyl Phosphate. Proc. Emerging Trends in Separation Science and Technology (SESTEC-2016), IIT-Guwahati, India. (P.208).
  • A. Suresh, Aditi Chandrasekar, N. Sivaraman, M. Joseph and V.K. Aswal. (2016, May 17 – 20). Effects of Temperature on Small Angle Neutron Scattering of Trialkyl Phosphates loaded with Thorium Nitrate Proc. Emerging Trends in Separation Science and Technology (SESTEC-2016), IIT-Guwahati, India. (P.209).
  • Aditi Chandrasekar, C.V.S. Brahmmananda Rao and N. Sivaraman. (2017, February 6 – 10). Extraction Studies of Actinides by Dibutyl H phosphonate and its Branched Derivatives. Proc. of Nuclear and Radiochemistry Symposium (NUCAR-2017), KIIT University, Bhubaneshwar, India.(P.258).
  • Aditi Chandrasekar, G. Gopakumar, C.V.S B. Rao, P. Velavendan and N. Sivaraman. (2017, February 6 – 10) DFT Studies on Third Phase Formation in 1.1M butyl H Phosphonates in Dodecane during Extraction of Nitric Acid. Proc. of Nuclear and Radiochemistry Symposium (NUCAR-2017), KIIT University, Bhubaneshwar, India, . (P.260).
  • Aditi Chandrasekar, C.V.S. Brahmmananda Rao and N. Sivaraman. (2018, May 23 – 26). Extraction of Actinides by Amyl H Phosphonates, Proc. of Emerging Trends in Separation Science and Technology (SESTEC-2018), BITS-Goa, India. (P. 67)
  • Aditi Chandrasekar, A. Suresh and N. Sivaraman. (2018, May 23 – 26). Chromatographic Separations of U (VI) from Th (IV). Proc. of Emerging Trends in Separation Science and Technology (SESTEC-2018), BITS-Goa, India. (P.148).
  • Aditi Chandrasekar and Tapan K. Ghanty. (2018, May 23 – 26). Increased Covalent Interactions in Heavy Actinides. Proc. of Emerging Trends in Separation Science and Technology (SESTEC-2018), BITS-Goa, India. P.174
  • Aditi Chandrasekar, A. Suresh and N.Sivaraman. (2019, 15 – 19th January). Third Phase Formation in the Extraction of Ce(IV) by tri-n-butyl phosphate and tri-sec-butyl phosphate from nitric acid media. Proc. of Nuclear and Radiochemistry Symposium (NUCAR-2019), BARC, Mumbai, India. (P.57)
  • Ayan Ghosh, Aditi Chandrasekar, Meenakshi Joshi and Tapan K. Ghanty. (2018, January 3 – 7).Van der Waals Complexes of Noble Gas Atom with Coinage Metal Clusters: Effect of Relativistic Interaction. Proc. of the Trombay Symposium on Radiation and Photochemistry (TSRP-2018), BARC, Mumbai, India. (P.64)
  • Meenakshi Joshi, Aditi Chandrasekar and Tapan K. Ghanty. (2018, May 23 – 26)Fluorescent Characteristics of Th and Ce Complexes from the Ground State Electronic Structures. Proc. of Emerging Trends in Separation Science and Technology (SESTEC-2018), BITS-Goa, India. (P. 178)
  • Meenakshi Joshi, AyanGhosh, Aditi Chandrasekar and Tapan K. Ghanty. (2019, February 13 – 16). Stability of Metal Doped Metalloid Clusters with Broken Aromaticity. Proc. of Theoretical Chemistry Symposium (TCS 2019), BITS Pilani, . (P.93)

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) 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