Research Scholors:    

    Mr. Sunil Kumar Moharana
     (MSc, Sambalpur University, Odissa; Joined in Jan, 2020)
     Research Topic:  Molecular dynamics investigations on ion transport in solids
      Email: sunil1996[at]iitg.ac.in



    Mr. Likun Pradhan
     (MSc, Indira Gandhi National Tribal University, Madhya Pradesh;Joined in Aug,2020)
     Research Topic:  Computational Materials Science
      Email: lpradhan[at]iitg.ac.in

    Mr. Sanjib Ray
     (MSc, Tezpur University, Assam; Joined in Aug, 2020)
     Research Topic:  Computational Materials Science
      Email: sray[at]iitg.ac.in


    Ms. Pujarini Mahapatra
     (MSc, Sambalpur University, Odissa; Joined in Aug, 2021)
     Research Topic:  Computational Materials Science
      Email: pujarini.mahapatra[at]iitg.ac.in

    Mr. Debangshu Kalita  
    (MSc, Pondicherry University, Pondicherry; Joined in Aug, 2024)
    Research Topic:  Computational Materials Science
    Email: k.debangshu[at]iitg.ac.in
             

    Mr. Md Rimon SK  
    (MSc, University of Gour Banga, West Bengal; Joined Aug -2025)
    Research Topic:  Computational Materials Science
    Email:m.sk[at]iitg.ac.in  
             

Alumni: 

  Dr. Sudeshna  Madhual

    Post-Doctoral Researcher, Interface Electrochemistry Group,    
    Research Center for Energy and Environmental Materials (GREEN)
    National Institute of Material Science (NIMS), Namiki Tsukuba Ibaraki, JAPAN.
    Email: madhual.sudeshna@nims.go.jp
     Ph. D Thesis: Molecular dynamics Studies of ZrO2 and CeO2 Based SOFC Materials                        (Joined in July, 2018; Completed PhD in March 2024)
Dr. Krishnanjan Pramanik
Post-Doctoral Researcher, 
HMI Group, BCCMS, University of Breman, Germany. 
Email:kp6323[at]gmail.com, krishna1[at]uni-breman.de
Ph. D Thesis: Atomistic Simulation Studies of Alkali Ion Conducting Superionic Conductors 
(Joined PhD in Jan, 2014, Completed in March 2021)
Sangkha Borah
 Dr. Sangkha Borah 
   Assistant Professor, Department of Physics, IIT Hyderabad, India.
    Email: sborah53@gmail.com,
   Ph. D Thesis: Ab Initio Molecular Dynamics Studies of Structural, Dynamical and               
                         Spectroscopic Aspects of Waterborne Selenium and Arsenic Species
                                    (Joined PhD in July, 2013, Completed in May 2018)
kartik Dr. Kartik Sau
    Senior Assistant Professor, Tohoku University, Sandai, Japan.

    Email: kartik.sau[at]gmail.com

     Ph. D Thesis: Molecular Dynamics Investigations of Fastion Transport in Oxide                                            Frameworks.

     (Joined PhD in July, 2011, Completed in May 2017)
Supriya Roy
     Dr. Supriya Roy  
      Assistant Professor, School of Applied Sciences, KIIT, Bhubanesswar, Odisha, India.
      Email: supriyophy163[at]gmail.com
      Ph. D Thesis: Computer Simulation Studies of Structure and Ion Transport in                                                     NASICON Fast Ion Solids. 
      (Joined PhD in July, 2008; Completed in Dec, 2013)

MSc/BTech/Project Students: 

Mr. Deepanshu Joshi (242121015)  
MSc Project: Computational Materials Science
To Complete MSc in June 2026.
Mr. Mudit Gaur (210121036)  
BTech (6-Sem) Project: Monte Carlo Study of XY Model
To Complete BTech in June 2025.
Mr. S. Naman Sethiya (210121047)
BTech (6-Sem) Project: Study of Electronic Heat Capacity of Metals.
To Complete BTech in June 2025.
Mr. Amlan Biswal (210121009) 
BTech (6-Sem) Project: Monte Carlo Study of Ising Model
To Complete BTech in June 2025.
Mr. Vishnu Singh  (2222121056)
MSc Project:  Lattice Gas Study of Ion Transport 
To Complete MSc in June 2024.
Mr. Siddarth Bhatt (200121049)
BTech (6-Sem) Project:  Metadynamics Investigation of Double-Well Kinetics
To Complete BTech in June 2024.
Mr. Siddarth Bhatt (200121049)
BTech (7-8-Sem) Project:  Metadynamics Investigation of Transport on 2-D lattice.
To Complete BTech in June 2024.
Ms. Garima (212121019)
MSc Project:  MD Simulation of Nucleation and Growth
To Complete MSc in June 2023.
Ms. Himanshu Singh (212121020)
MSc Project: Lattice Gas Study of Ion Transport   
To Complete MSc in June 2023.
Mr. Yashwardhan Singh Sisodia (190121059)
BTech (Mini) Project:  Lattice Gas Study of Ion Transport in Fast Ion Conductors
To Complete BTech in June 2023.
Ms. Titiksha (190121053)
BTech (6-Sem) Project:  Atomistic Simulation of Water Spectra 
To Complete BTech in June 2023.
Mr. Taranga Borgohain (202121052)
MSc Project:  Atomistic Simulation of Anomalous Diffusion of Anions in Water
To Complete MSc in June 2022.
Mr. Shubham Sarma (202121046)
MSc Project:  Atomistic Simulation of Anomalous Diffusion of Cations in Water.
To Complete MSc in June 2022.

Mr. Prankur Garg (192121028)
MSc Project:  Atomistic Simulation of Structure of Ar55 Cluster Supported on a Surface.
Completed MSc in June 2021.
Mr. Sridhar (170121042)
BTech Project:  Atomistic Simulation of Infrared Spectra of water
Completed BTech in June 2021.
Ms. Sanya Sharma (180121038)
BTech (6-Sem) Project:  Thermodynamics of Particles in Double Well Potential: Monte Carlo & Metadynamics.
To Complete BTech in June 2022.
Mr. TM Abdul Khader (160121040)
BTech Project:  TD-WIDP: A Novel Concept for Wear Levelling NVM implemented L2 Cache. 
(Co-Supervised by Dr. John Jose, CSE, IITG).
Completed BTech in June 2020.
Mr. Monit Lama (172121029)
MSc Project:  Molecular Dynamics Study of alpha-AgI at different temperatures.
Completed MSc in June 2020.
Mr. Suresh Kumar BVV (130121009)
BTech Project: MD study NaCl dissolution in water. 
Completed BTech in August 2017.
Mr. Koushik Naskar (152121018)
MSc Project: MD study NaCl solubility in water. 
Completed MSc in 2017.
Ms. Sheuly Ghosh (132121037)
MSc Project: MD study H2O diffusion in Zeolites.
Completed MSc in 2015
Ms. Harsha Shakshi (120121013)
BTech Project: MD simulation of BaF2/CaF2 interface. Completed BTech in 2016. 
Ms. Ruma Das (132121029)
MSc Project: MD study CO2 diffusion in Zeolites.
Completed MSc in 2015
Mr. Vikas Kumawat (11012139)
BTech Project: MD study CO2 diffusion in water.
Completed BTech in 2015
Mr. Dinesh Yadav (122121014)
MSc Project: MD study of CO2 solvation in water.
Completed MSc in 2014.
Mr. Anand Raj (10012102)
BTech Project: MD study Li motion in Li3N.
Completed BTech in 2014.                                      
Mr. Deepan Beja 
Project:MD study of Solid-Liquid Transition in Ar Clusters.
Completed MSc in 2013
Mr. A. Nischal Kumar 
Project: MD study of Solid-Liquid Transition in (KCl)32.
Completed BTech in 2013
Mr. Amal Kanta Giri
Project: MD Investigation of ion transport in CaF2.
Completed MSc in 2012
Ms. Gandhari Wattal
Project: MD study of diffusion in 2-D systems.
Completed MSc in 2012
Mr. D. Swapnil Vijay 
Project: MD Investigation of AgI/CuI systems.
Completed BTech in 2012
  
Mr. Kartic Sau
Project: MD study of Ionic Motion in AgI.
Completed MSc in 2011. Continuing PhD.  
Mr. A. Yasaswy 
Project: Development of NPT-MD code.
   Completed BTech in 2011
Mr. Pritam Ganguly
Project: Activated barrier Crossing Using Metadynamic Technique.
  Completed MSc in 2010
Mr. Shibashish Behera 
Project: Diffusion of Hydrophobic Species in Water.
  Completed BTech in 2010
Mr. Shashi Prabhakar
Project: Monte Carlo  Study of 2 and 3D Ising Model. 
Completed MSc in 2009
Mrs. Madhumita Chowdhuri
Project: MD Studies of Phase Transitions in Ar13.      
Completed MSc in 2009                                                
Mr. Tathagata  Gupta
(PhD Registrant. Left 2018; Unfinished.)
Mr. Omkar Tripathy
(PhD Registrant. Left 2017; Unfinished.)
Mr. Debapriya Roy
(PhD Registrant. Left 2016; Unfinished.)
Mr. Balwant Singh
(PhD Registrant. Left 2011; Unfinished.)