Remya G S

Postdoctoral Fellow

Postdoctoral fellow


Research Interests

Computational Chemistry, Density Functional Theory, Catalytic Reaction Mechanism, Molecular Reactivity

Selected Publications

1.   Pincer ligand modifications to tune the activation barrier for Helimination in water splitting Milstein catalyst, K S Sandhya, G S Remya and C H Suresh, Inorg. Chem., 2015, 54, 11150-11156

2.   Quantification and classification of substituent effects in organic chemistry: a

theoretical molecular electrostatic potential study, G S Remya, and C H Suresh, Phys. Chem. Chem. Phys., 2016, 18, 20615-20626

3.   Assessment of the electron donor properties of substituted phenanthroline ligands in molybdenum carbonyl complexes using molecular electrostatic potentials: G S Remya and C H Suresh, New J. Chem., 2018,42, 3602-3608 

4.     Intermolecular dihydrogen bonding in VI, VII, and VIII group octahedral metal hydride complexes with water, K S Sandhya, G S Remya and C H Suresh, J. Chem. Sci., 2018, 130, 98

5.    Hydrogen elimination reactivity of ruthenium pincer hydride complexes: a DFT Study, G S Remya and C H Suresh, New J. Chem., 2019,43, 14634-14642

6.        Extending the library of boron bases: a contribution from theory, S S Rohman, B Sarmah, B Borthakur, G S. Remya, C H. Suresh and A K.Phukan, Organometallics, 2019, 38, 2770-2781

7.   Substituent effect parameters: extending the applications to organometallic chemistry, G S Remya and C H Suresh, ChemPhysChem, 2020, 1028-1035

8.   Molecular electrostatic potential analysis: A powerful tool to interpret and predict chemical reactivity, C. H. Suresh, G. S. Remya and Anjalikrishna P K, WIREs Comput. Mol. Sci. 2022; e1601

9.   NADH-depletion triggered energy shutting with cyclometalated iridium (III) complex enabled bimodal Luminescence-SERS sensing and photodynamic therapy, S. Shamjith, M. M. Joseph, V. P. Murali, G. S. Remya, J. B. Nair, C. H. Suresh and K. K. Maiti, Biosensors and Bioelectronics, 2022, 114087

10.   On the Ineffectiveness of Grubbs-type iron olefin metathesis catalysts: role of spin-state isomerism and cyclopropanation, G. S. Remya and C. H. Suresh, Inorg. Chimica Acta, 2022, 12097


2021: Ph.D. from Academy of Scientific and Innovative Research (AcSIR), CSIR-National Institute for Interdisciplinary Science and Technology (CSIR- NIIST), Thiruvananthapuram, Kerala, India.

2011: Master of Science (M.Sc.) in Chemistry from University of Kerala, India 

2009: Bachelor of Science (B.Sc.) in Chemistry from University of Kerala, India 

Professional Profile

  • CSIR Senior Research Fellow (2018- 2021): CSIR- NIIST, Thiruvananthapuram, Kerala, India.
  • Project Assistant, DST-SERB project, GAP-137239 (2017- 2018): CSIR-NIIST, Thiruvananthapuram, Kerala, India.
  • Project Assistant, CSIR network project, CSC-0129 (2015- 2017): CSIR-NIIST, Thiruvananthapuram, Kerala, India.
  • Project Assistant, CSIR empowered project, OLP-132839 (2014- 2015): CSIR- NIIST, Thiruvananthapuram, Kerala, India.

KAUST Affiliations

Computational Transport Phenomena Laboratory

Research Interests Keywords

Computational Chemistry Density Functional Theory Catalytic Reaction Mechanism Molecular Reactivity