Research Group

Research Associate:

2) Dr. Shyama Ramakrishnan

1) Dr. D. Sravanakumar Perumalla (Presently a post doctoral fellow at Department of Physics, Chemistry and Biology (IFM), Linköping University, Sweden)

Research Assistant:

2) Ms. Shalini P

1) Mr. Gokul Govind (Presently a Ph.D student at Institute of Physics, Johannes Gutenberg Universitat Mainz, Germany)

M.Sc Project Students from IIT Palakkad:

10) Ms. Haritha P; (Presently a Ph.D student at Department of Chemistry, IIT Palakkad); Masters Project (MSc 2nd year)

Project Title: Investigating Folding Dynamics of AIB Substituted Phenylalanine Heptapeptides

9) Mr. Anurag Singh; Masters Project (MSc 2nd year)

Project Title: Mechanistic Insights into CO2 Capture by Polyethyleneimine: A DFT Study

8) Mr. Pritam Chakraborty; (Presently a Ph.D student at Department of Chemistry, IIT Palakkad); Masters Project (MSc 2nd year)

Project Title: Towards the self-assembly of anti-aromatic molecules in forming COF’s – A theoretical investigation

7) Mr. Revanth P E; (Presently a Ph.D student at Department of Chemistry and Biochemistry, University of Oregon); Masters Project (MSc 2nd year)

Project Title: Stabilization of the S-Peptide in the S-Peptide S-Protein Complex (RNase S)

6) Ms. Hafila Khairun S (Presently a Ph.D student at Centre for Sustainable Technologies, IISc, Bangalore); Masters Project (MSc 2nd year)

Project Title: Size-Dependent Stability of Cubic Coinage Metal Nanoclusters in Water & Ionic Liquids - A Molecular Dynamics Study

5) Mr. Rohit R (Presently a Ph.D student with Prof. Mounir Tarek, CNRS- University of Lorraine, Nancy France); Masters Project (MSc 2nd year)

Project Title: Structural Stability of an α-Helix in HP35

4) Mr. Manash Pratim Sarmah (Presently a Ph.D student at Chemistry Department, IIT Guwahati); Masters Project (MSc 2nd year)

Project Title: Organic Material for Light Emitting : Towards their Electronic Properties and Thermally Activated Delayed Fluorescence

3) Mr. Anurag Pandey; Masters Project (MSc 2nd Year), 2021.

Project Title: Computational study of interaction of the C4 domain of VWF Protein with Silver Nanoparticles

2) Ms. Ishmita Kaur (Research Associate at Syngene International Limited, Bangalore) ; Masters Project (MSc 2nd Year), 2021.

Project Title: Studies of single G-T mismatch in A-T rich DNA hairpins using AMBER03 force-field methods: comparison with G-C match base pair

1) Ms. Rimisha A. C.; Masters Project (MSc 2nd Year), 2021.

Project Title: Study of different Nickel complexes using density functional theory.

M.Sc Project Students and Internship Students form other Institutes:

24) Ms. Bibitha Poulose, Department of Chemistry, Sree Sankara college, Kalady.

Master Project (MSc 2 Year), Summer 2025.

Project Title: BEYOND BREDT’S RULE: A COMPUTATIONAL STUDY OF THE MECHANISM OF ANTI BREDT OLEFIN FORMATION

23) Ms. Nandhana Janardhanan, Department of Chemistry, Sree Sankara college, Kalady.

Master Project (MSc 2 Year), Summer 2025.

Project Title: Acetonitrile-Assisted Peroxide Formation in Co-nTMC Complexes

22) Ms. Meenakshi Krishnan P R, Bioinformatics, Amrita Viswa Vidyapeetham, Amritapuri Campus, Karunagapally, Kollam.

Summer Internship (M.Sc 1st Year), Summer 2024.

Project Title: Interaction of Copper Nanocluster with Protein: “Docking and Molecular Dynamic Study

21) Ms. Manya K, Department of Chemistry, NIT Meghalaya.

Summer Internship (M.Sc 1st Year), Summer 2023.

Project Title: Calculation of Coordination Numbers in Different Lattices Using Computational Methods

20) Ms. Drisya P, Department of Chemistry, St. Michaels College, Cherthala.

 Master Project (MSc 2 Year), Summer 2023.

Project Title: Force Induced Unfolding of 1GB1 Protein and its Intermediates.

19) Ms. Nice Theresa Paul, Department of Chemistry, St. Michaels College, Cherthala.

 Master Project (MSc 2 Year), Summer 2023.

Project Title: Pulling S-Peptide out of Rnase-S at Constant Force - A Molecular Dynamics Study.

18) Ms. Shahanas P, Department of Chemistry, PSMO college, Tirurangadi, Malappuram, Kerala.

Master Project (MSc 2 Year), Summer 2023.

Project Title: Benchmarking Study of Computational Methods for Linear Conjugated Double Bond System.

17) Ms. Lakshmi Surya T, PSGR Krishnammal College for Women, Coimbatore, Tamil Nadu. (Presently at ICT, Bhubaneshwar as JRF fellow)

Master Project (MSc 2 Year), Summer 2023.

Project Title: Benchmarking of Computational Methodology and Basis for the Calculation of NMR Chemical Shifts of Transition Metal β-Agostic Complexes.

16) Ms. Shalini , PSGR Krishnammal College for Women, Coimbatore, Tamil Nadu. 

Master Project (MSc 2 Year), Summer 2023.

Project Title: Non-Bonded Interaction In Acetic Acid Dimer and Its Resonance Stabilization:  A Computational Approach.

15) Mr. Ihjas Aslam K K, Department of Chemistry, PSMO college, Tirurangadi, Malappuram, Kerala.

Summer Intern (Final Semester, B.Sc) from Indian Academy of Sciences, June 2022-November 2022.

Project Title: Protein-Metal Nanocluster Interactions

14) Ms. Arathi Das, Department of Chemistry, Pondicherry University, Tamilnadu. (Presently Erasmus Mundus Joint Masters Scholarship in "Theoretical Chemistry and Computational Modelling" (2023-25), Groningen, Netherlands.)

Summer Intern (M.Sc First Year), June 2022-July 2022.

Project Title: Benchmarking DFT Functionals for the Investigation of Organic Electronic Materials.

13) Mr. Indrajith T, Department of Chemistry, Christ College, Irinjalakuda, Thrissur, Kerala.

Summer Intern (M.Sc First Year), June 2022-July 2022.

Project Title: Study of Acetic Acid Dimerization using Computational Methods

12) Ms. Bijisha Bijo,  Bharata Mata College, Thrikkakara, Kerala.

Summer Intern (B.Sc Final Year) from Indian Academy of Sciences, June 2021-February 2022.

Project Title: Mechanochemistry and Mechanochemical Processes

11)  Mr. Gokul Govind, Department of Chemistry, Central University, Thiruvarur, Tamil Nadu. (Presently a Ph.D student at Institute of Physics, Johannes Gutenberg Universitat Mainz, Germany.)

Master Project (Integrated  M.Sc 5 Year), Summer 2020 (Jan 2020 - May 2020).

Project Title: Insights into the Folding–Unfolding Dynamics of pH-Assisted Structures of Ribonuclease S-Peptide.

10) Ms. Archana K, PSGR Krishnammal College for Women, Coimbatore, Tamil Nadu.

Master Project (MSc 2 Year), Summer 2020.

Project Title: MD Simulation Study on DSBC and DSBC-nDSBD Complex Proteins.

9) Ms. Archana K, PSGR Krishnammal College for Women, Coimbatore, Tamil Nadu.

Summer Intern (M.Sc 1 year) from Indian Academy of Sciences, Summer 2019.

Project Title: Electrochem- a Graphical User Interface(GUI) using MATLAB

8) Mr. Rinto Thomas,  Department of Computational Sciences, Central University of Punjab. (Presently a Doctoral Student at The Philipp University of Marburg, Germany.)

Summer Intern (M.Sc 1 Year), Summer 2019.

Project Title: Self Aggregation of Hydrogen Cyanide: A molecular Dynamics study

7) Mr. Gokul Govind, Department of Chemistry, Central University, Thiruvarur, Tamil Nadu. (Presently a Ph.D student at Institute of Physics, Johannes Gutenberg Universitat Mainz, Germany)

Summer Intern (Integrated  M.Sc 3 Year), Summer 2018.

Project Title: Urea Depended Denaturation of ß-Hairpin of B1 domain of Protein G - A Molecular Dynamics Study

6) Ms. Celin Rooth, Department of Chemistry, St. Alberts College, Ernakulam, M G University. (Presently a Ph.D student at Chemistry Department, IIT Madras)

Master Project (MSc 2 Year), Summer 2018.

Project Title: Towards the Conductivity of Ferrocene Based Nanowires.

5) Mr. Antony K Joseph, Department of Chemistry, Victoria College, Palakkad, Calicut University.

Master Project (MSc 2 Year), Summer 2018.

Project Title: Aggregation Mediated Optical Properties Of π-Conjugated Materials

4) Ms. Sona C P, Department of Physics, MES College, Marampally, M G University.

Master Project (MSc 2 Year), Summer 2018.

Project Title: Screening π–Conjugated Organic Materials for Thermally Activated Delayed Fluorescence

3) Ms. Athira K, Department of Physics, MES College, Marampally, M G University.

Master Project (MSc 2 Year), Summer 2018.

Project Title: Screening π–Conjugated Organic Materials for Thermally Activated Delayed Fluorescence

2) Ms. Aswathy P. S., Department of Chemistry, NSS College, Nemmara, Calicut University.

Master Project (MSc 2 Year), Summer 2017.

Project Title: Conformations are Deterministic in Defining the Underlying Potential Energy Surface of Mechanochemical Reaction

1) Ms. Amirtha N. R., Department of Chemistry, NSS College, Nemmara, Calicut University.

Master Project (MSc 2 Year), Summer 2017.

Project Title: Optical Properties of π-Conjugated Materials are not Merely their Molecular Properties