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Alumni
PhD Students
Anshaj Ronge (2025) - ExxonMobil, Bangalore
Thesis Title: Application of graphene nanopores
Samlesh Choudhary (2024) - Applied Materials, Bangalore
Thesis Title: Investigation of multiscale biological phenomenon using kinetic modeling and molecular dynamics simulations
Avijeet Kulshrestha (2023) - Post Doc, Texas A&M University
Thesis Title: Computational study of membrane-driven secondary structural changes in proteins
Pradyumn Sharma (2022) - Eli Lily Pvt Ltd
Thesis Title: Molecular dynamics investigations of the bacterial cell envelope: Elucidating differential barriers for antimicrobials
Ilanila P. (2020) - NIT Calicut
Thesis Title: Investigation of cell membrane dynamics: A potential marker for lipid response towards membrane-active proteins and peptides
Rajasekaran Manokaran (2020)- NIT Surathkal
Thesis Title: Exploring water dynamics and gas separations in graphene oxide surfaces and nanopores
Ayush Agarwal (2016) - RRI, Bangalore
Thesis Title: Pore Forming Mechanism of an Alpha-Helical Cytolysin.
Rajat Desikan (2015)- Invictus Oncology, Delhi
Thesis Title: Molecular Analysis of the Pore Forming Mechanism of an alpha- Helical Cytolysin.
Thakkar, Foram (2011) - Shell, Bangalore
Thesis Title: Investigations of Polymer Drafted Lipid Bilayers using Dissipative Particle Dynamics.
Patil, Kalyan G. (2009) - Michelin India Tyres, Chennai
Thesis Title: Understanding Structure and Growth of Physisorbed Films: A Combined Atomic Force Microscopy and Modeling Study.
Ateeque Malani (2009)- IITB, Mumbai
Thesis Title: Structure and Dynamics of Interfacial and Confined Water.
Krishnan, S. H. (2005) - Samsung, Bangalore
Thesis Title: Dynamics and Relaxation of Fluids Confined in Nanopores.
Kamala C.R (2005)
Thesis Title: Mass Transport in Confined Binary Mixtures: Importance of Contribution from Distinct
Diffusivity.
Basak, Tanmay (1999)- IITM, Chennai
Thesis Title: Analysis of Microwave Thawing
MSc Students
Prince Kumar (2025)
Thesis Title: Modelling of flow of gas mixtures in membranes
Thejassvi Madireddi (2024)
Thesis Title: Modelling of heat storage systems
Amit Behera (2018) - HPCL
Tonnishtha Dasgupta (2014)- PhD, SHELL, Netherlands
Thesis Title: Role of functional groups on carbon-dioxide adsorption in activated carbon
Vaidyanathan M.S (2012) - PhD, Austin Texas
Thesis Title: Modelling the action of pore forming toxins and membrane rupture processes
Vinay S.Kandagil (2012)- PhD student at DEAKIN UNIVERSITY
Thesis Title: Capture and Storage of Carbon-dioxide by Adsorption
Debosruti Datta (2009) - South Florida, USA
Thesis Title: Methane Storage in Activated Carbon Nanostructures
Vinit Choudhary (2005) - Exxonmobil, New Jersey
Thesis Title: Molecular Simulations and Modelling of Mass Transport in Carbon Nanotubes
Hrishikesh, B. (2004) - Asia Pacific Risk Management Services, Chennai
Thesis Title: Phase Transitions of Fluids Confined in Nanopores
Pushpam Kumar Sinha (2002)
Thesis Title: Monte Carlo Simulations of Self Assembled Monolayers
Sen Gupta, Tirthankar (2002) - Post.Doc, IISc.
Thesis Title: Heating in Multiphase Systems using Electromagnetic Radiation
Sandeep, Pal (2002)
Thesis Title: Ion Exchange and Structure of Water in Reverse Micelles
Samantaray, Prasant (2002)
Thesis Title: Modeling of Adsorption of Metal Ions on Bacterial Surface
Ghatak, Chandana (2000)
Thesis Title: Molecular Simulations of Fluids confined in Smooth and Rough Nanopores
Chatterjee, Anindita (1996) - GE Consumer Finance, Bangalore
Thesis Title: Microwave Sintering of Ceramics
M.E Students
Sai Kumar 2015-2017
Sirajuddin (2015)- Management Trainee at United Phosphorus Limited, Belgaum
Project Title: Molecular Dynamic Simulations to Probe Interactions of Buffer Molecules with Lipid Bilayers
John Antony (2014) - Kerala
Project Title: Study of Pore Forming Toxins on Vesicles
Saurabh Umrao (2012) – Ph.D, IISc.
Project Title: Preparation of Giant Unilamellar Vesicles
Amar Deep Pathak (2011) - SHELL, Bengaluru
Project Title: Gas Storage using Nano Materials
Vijay Kale (2010) - DRDO, Pune
Project Title: Understanding Structural and Dynamic Properties of Nanoparticles.
Preeta Datta (2009)- NCSU
Project Title: Effect of Substrates on the Melting Transition of Gold Nanoparticles
Arnab Senapati (2008)- GE, Bangalore
Project Title: Coarse Graining of Water by the Reverse Monte Carlo Method
V. Arun Kumar (2007)- CSTEP, Bangalore
Project Title: Multiscale Simulations of Surfactant Mesophases using Molecular Dynamics.
Palla Venkata Gopala Rao (2007) - Halliburton, Pune
Project Title: Nucleation in Reverse Micelles.
Indranil Saha Dalal (2005)- Faculty, IITK
Project Title: Monte Carlo Simulation of Confined Water.
Harish Khajuria (2005) - PhD, UK
Project Title: A Mathematical Model for Microwave Induced Demulsification.
Pankaj Kharat (2004) - Geometic, Pune
Project Title: Molecular Theory of Transport in Zeolites NaY.
Vishal Gupta (2004) - MBA, Bangalore
Project Title: Ion Exchange and Structure of Water in Reverse Micelles.
Headaoo, Virendra (2001)
Project Title: Effect of Surface Roughness on the Solvation Force.
Basa, J. (2000)
Project Title: Molecular Modelling of Clustering and Nucleation in Salt Solution.
Kamakshi, J. (2000) - U.of Wisconsin, Madison
Project Title: Structural Transitions of Diatomic Molecules in Slit Graphite Pores.
Jain, R. (2000)
Project Title: Monte Carlo Simulation of Nitrogen Adsorption in Single Walled Carbon Nanotube.
Shaktivel, M. (2000) - Infosys
Project Title: Phonon Spectrum of Confined Fluids using Molecular Dynamics.
Arora, R. (2000) - TCS
Project Title: Equilbrium Modeling of Biosorption.
Annamalai, G. (1999)
Project Title: Adsorption Isotherms of Small Molecules in Zeolite NaA.
Bhattacharya Madhuchanda (1998)- IISc, Bangalore
Project Title: On the Analysis of Phase Change Problems with the Enthalpy Formulation.
Saha, Partha Pratim (1997) - Haldia Petrochemicals Ltd., Haldia
Project Title: Molecular Dynamics Study of Diffusion in Carbon Nanotubes.
Khan, Ifadat Ali (1996)
Project Title: Adsorption Studies in Carbon Nanotubes.
V Shankar (1995)
Project Title: Molecular Simulation of Fluids Confined in Carbon Nanotubes.Th