My research focuses on density functional theory investigation of reactivity descriptors in various organic, inorganic  and organometallic systems. My current interest lies in studying  the efficiency of  nanomaterials for adsorption and storage applications.

• Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity, C. H. Suresh, G. S. Remya and Anjalikrishna P K, WIREs Computational Molecular Science, e1601,(2022)
• Quantification and classification of substituent effects in organic chemistry: a theoretical molecular electrostatic potential study, G S Remya and C H Suresh, Physical Chemistry Chemical Physics, 18, 20615-20626, (2016)
• Pincer ligand modifications to tune the activation barrier for H₂ elimination in water splitting Milstein catalyst, K S Sandhya, G S Remya and C H Suresh, Inorganic Chemistry, 54, 11150-11156, (2015)
• Adsorption of gases on fullerene-like X₁₂Y₁₂ (X = Be, Mg, Ca, B, Al, Ga, C; Y = C, Si, N, P, O) nanocages, R Geetha Sadasivan Nair, AK Narayanan Nair, S Sun, Energy & Fuels, 37,14053-14063, (2023)
• Density functional theory study of doped coronene and circumcoronene as anode materials in lithium-ion batteries, R Geetha Sadasivan Nair, AK Narayanan Nair, S Sun, Scientific Reports, 14, 15220 (2024)

• PhD in Chemistry from CSIR-NIIST, India, 2021
• MSc in Chemistry, University of Kerala, 2011
• BSc in Chemistry, University of Kerala, 2009

• 2022-present : Postdoctoral fellow, KAUST, Thuwal, Saudi Arabia)
• 2014-2017 : Project assistant, CSIR-NIIST, India

• Physical Science and Engineering Division (PSE)