MSL Group
Group Leader (She/Her)
Madhurima Jana (Ph.D)
Professor
I completed my doctoral studies in computational physical chemistry, focusing on carbohydrate dynamics, from IIT Kharagpur in 2012. In 2011, I joined the Department of Chemistry at NIT Rourkela as an Assistant Professor. I spent one year (2013-2014) at the University of Maryland, Baltimore and involved in developing Drude polarizable force field for carbohydrates. My research group uses state-of-art molecular dynamics, enhanced sampling techniques, and quantum mechanical tools in exploring complex biophysical problems and solvents in battery chemistry.
Current Group Members
Doctoral Students
Mr. Rabiul Gazi
M.Sc: Chemistry
Working on stability of proteins under stress conditions
Mr. Piyush Giri
M.Sc: Chemistry
Working on Li-ion battery electrolytes
Mr. Sankar Maity
M.Sc: Chemistry
Working on Lipid-saccharide-alcohol interactions
Ms. Sashmita Nayak
M.Sc: Chemistry
Working on Glycosaminoglycans
Mr. Bilash Maity
M.Sc: Chemistry
Working on - Protein aggregation
M.Sc Project
1. Mr. Ipsit Paul (2023 -)
2. Mr. Biplab Das (2023 -)
Former Group Members
Ph.D
Dr. Shakuntala Dhurua
Graduated on: September, 2024
Thesis Title: Conformations and Binding of Chondroitin Sulfate, Heparan Sulfate, and Hyaluronic Acid with CXCL8 in Aqueous Medium from Molecular Dynamics Simulation
Dr. Santanu Santra (santop420@gmail.com)
Graduated on: April, 2022
Thesis Title: Microscopic Investigation of Conformational Stability of Proteins In Amino Acid Solutions And The Properties of Solvent Around It
Current Position: Postdoc at Hebrew University of Jerusalem
Dr. Rakesh Parida (rakeshparida92@gmail.com )
Graduated on: April, 2022
Thesis Title: Combined Density Functional Theory And Molecular Dynamics Study on The Design And Application of Super-Alkali/Halogen And Analysis of Reaction Mechanism
Current Position: Postdoc at Sungkyunkwan University, South Korea
Dr. G. Naaresh Reddy (gnrreddy05@gmail.com)
Graduated on: July, 2020
Thesis Title: In Silico Studies Of Functionalized Aromatic Heterocyclic And Zintl Ion Based Super-Atom/Alkali/Halogen
Current position: Assistant Professor @Vardhaman College of Engineering, Hyderabad
Dr. Dayanidhi Mohanta (dayamohanta@gmail.com)
Graduated on: April, 2018
Thesis Title: Molecular Dynamics Studies Of The Effects Of Alcohols On Chymotrypsin Inhibitor 2
Current position: Assistant Professor @College of Teacher Education Odisha
Master's Project Fellows
2023
21. Mr. Sourab Barath V (sourabvbarath@gmail.com)
Current position: Project Assistant at IISc Bangalore
20. Mr. Sonu Kumar
Current position: Pursuing Ph.D @IIT Roorkee
2022
19. Mr. Umang Hembram
Current position: Project Assistant at CSIR-CIMFR, Ranchi Unit
18. Mr. Ajeet Singh
2021
17. Mr. Samrat Sarkar
Current position: JRF at NIT Suratkal
16. Mr. Suzatra Chatterjee
Current Position: Ph.D at University of Texas at El Paso, USA
2020
15. Mr. Gautam Jha
Current Position: Ph.D at Technical University of Dresden & International Max Plank Research School, MPSSE Dresden, Germany
14. Mr. Prabir Sarkar (prabirsarkar456@gmail.com)
Current position: Ph.D at Loughborough University, UK
2019
13. Mr. Abhijeet Mohanty
12. Mr. Anuj Kumar Ray (anujray.107@gmail.com )
Current position: Ph.D at IACS, Kolkata
11. Mr. Sudipta Ganguly (s.ganguly.1201@gmail.com)
Current Position: Ph.D at University of Wisconsin-Madison, USA
10. Mr. Sachin Ramesh Nambiar (sachinrameshnambiar@gmail.com)
Current position: Pursuing Ph.D at University of Georgia, Athens, USA
2018
9. Mr. Malay Roul(malay2chemist@gmail.com)
8. Ms. Rituparna Mishra(ritu.filly@gmail.com)
2017
7. Mr. Tathagata Kundu (kundutathagata31@gmail.com )
2016
6. Mr. Motilal Chattaria (motilal2003rta@gmail.com )
5. Mr. Siddharth Kamal (411cy5084@nitrkl.ac.in )
2014
4. Ms. Vijayalaxmi sahoo (vlsahoo.rgp@gmail.com)
2013
3. Mr. Dayananda Sharma (dayasharma007@gmail.com)
2. Mr. Pratik Biswal (pratik.biswal12@gmail.com)
1. Ms. Nivedita Rai (nivedita18nitr@gmail.com)
Project Fellows
1. Mr. Somdev Pahari (2018 - 2022)
Worked on Lipid-sugar interactions
2.Mr. Dipankar Paul (2018-2019)
Worked on protein-Hyaluronan interactions