CNIS Lab

Jyoti Sahu (May, 2019 - June, 2020)  

Assistant Professor, NIT Trichy (jsahu1986@gmail.com)

Research Topic: Interfacial the behavior of the oil-water-electrolyte system on substrates in the presence of surfactants and nanoparticles

Praveen Sappidi (Aug, 2017 - Oct, 2019)  

Assistant Professor, IIT Jodhpur (praveenche@gmail.com)

Research Topic: Molecular Dynamic Simulations

Arun K. Singh (Aug, 2016 - Aug, 2019)  

Assistant Professor, (aruniitr09@gmail.com)

Research Topic: Oil water seperation and Interfacial Science

Rima Biswas (Dec, 2018 - Oct, 2019)  

Postdoctoral scholar, National Taiwan University (biswasrima622@gmail.com)

Research Topic: Carbon Dioxide Absorption by using Ionic Liquid

Preeti (Sep, 2017 - Mar, 2019)  

Assistant Professor, (preeti@iitk.ac.in)

Research Topic: Adsorption and desorption behavior of nanoparticles on polymeric surface

Shruti Mishra (Dec, 2017 - Oct, 2019)  

Scientist, NDDB Gujrat (shrutim@iitk.ac.in)

Research Topic: Nano-composites for water remediation

Vivek Yadav (Aug, 2017 - Oct, 2019)  

Assistant Prof. of Chemistry, Allahabad University, (None)

Research Topic: Statistical Mechanics, Ab initio molecular dynamics, 2D Layered Material Docking

A. Nagaraj (Feb, 2021 - Feb, 2023)  

Assistant Professor, (nraj1613@gmail.com)

Research Topic: NOVEL FUNCTIOANLIZED METAL ORGANIC FRAMEWORKS FOR CO2 CPATURE

Vanshree Parey (November, 2020 - July, 2022)  

Post Doctoral Researcher, ICIQ, Spain (vanshreeparey06@gmail.com)

Research Topic: Understanding of Electrochemical mechanism for MXenes capture and conversion into hydrocarbon fuels

Mayank Gupta (Feb, 2022 - Feb, 2023)  

Post. Doctoral Fellow, Institute of Porous Materials of Paris IMAP (gmayank@iitk.ac.in)

Research Topic: Water and thermally stable metal–organic frameworks and their composites for CO2 capture, storage, and conversion

Bushnagar Adivaiah (July 2022 - February 2024)  

Senior Project Scientist, IIT Bombay (johnholy99@gmail.com)

Research Topic: Computational framework for design of battery materials

Satyabrata Subudhi (March 2023 - Nov 2023)  

Post. Doctoral Fellow, South Korea (ssubudhi@iitk.ac.in)

Research Topic: MOF based photo-catalytic materials effective towards Organic Transformations and Gas adsorption.

Sangeeta Mahala (November 2023 - February 2024)  

Senior Project Scientist, University of Kansas, USA (sangeetamahala97@gmail.com)

Research Topic: Synthesis of porous adsorbent for CO2 capture & conversion to useful chemicals

Aswathi Mohan T (December 2023 - )  

Senior Project Scientist, IIT Kanpur (aswathimohant@gmail.com)

Research Topic: Material discovery for CO2 capture and utilization

Debabrata Pramanik (Aug, 2019 - June, 2022)  

Assistant Prof. of Physics, SRM University, (vineetk@iitk.ac.in)

Research Topic: Understanding complex rare event systems using enhanced sampling techniques

Showkat Hassan (Jan, 2018 - Jan, 2022)  

Harish Chandra Research Institute, (mirshowkat07@gmail.com)

Research Topic: Thermo-electric properties of layered materials for sustainable energy, condensed matter physics

B Moses Abraham (Aug 2020 - )  

Fullbright Fellow, Drexel University, USA, (mosesabrahamb@gmail.com)

Research Topic: Machine Learning Driven Discovery of 2D MXene Catalysts for CO2 Reduction to Hydrocarbon Fuels

Arpita Srivastava (2020 - 2021)  

Assistant Professor, NIT Calicut (srivastava.4@iitj.ac.in)

Research Topic: Self-aggregation behavior of tri-block copolymers

Shubham Tiwari (2015 - 2023)  

Project Scientist, IIT Kanpur (subhamt@iitk.ac.in)

Research Topic: Impact of NPs and inorganic salt on thermodynamic and structural properties of fluid-fluid interface

Prosun Halder (2016 - January, 2023)  

Scientist, Prescience Insilico Limited (halderprosun7@gmail.com)

Research Topic: Adsorption study of nano-porous materials

Amrita Goswami (2016 - 2021)  

Post Doc., University of Iceland, University of Iceland (amritag@iitk.ac.in)

Research Topic: Ice Nucleation, Topological network criteria

Manish Maurya (2013 - 2019)  

Post. Doctoral Fellow, Ohio State University (manishmm@iitk.ac.in)

Research Topic: CO₂ adsorption study.

Debdip Bhandary (2010 - 2016)  

Assistant Professor, IIT (BHU), Varanasi (debdip.bhandary@gmail.com)

Research Topic: Nanoparticle induced supression of dewetting

Atanu K. Metya (2010 - 2012)  

Assistant Professor, IIT Patna (atanumta@iitk.ac.in)

Research Topic: Study of ice nucleation in presence of foreign substances

Parul Katiyar (2013 - 2018)  

Assistant Professor, MNNIT Allahbad (parulk@iitk.ac.in)

Research Topic: Behavior of Nanopartiecles at interfaces: Structure Dynamics and Thermodynamics

Anitha Kommu (2011 - 2017)  

Post Doc., University of Wyoming ()

Research Topic: Removal of Heavy Metal ions and Organic Pollutants from Industrial Wastewater using Nanomaterials

Sadanandam Namsani (2011 - 2017)  

Senior Staff Engineer, Applied Material India, Bengaluru (sada.rams@gmail.com)

Research Topic: Force field development and prediction of thermal conductivity of nanocomposites

Chandan Kumar Das (2008 - 2014)  

Assistant Professor, NIT Rourkela ()

Research Topic: Study of the Effects of Confinement on Melting Transition of Lennard-Jones and Dipolar Fluids

Tarak Kumar Patra (2008 - 2014)  

Assistant Professor, IIT Madras ()

Research Topic: Coarse-grained molecular simulations of polymers and nanocomposites: Structure, dynamics and phase behavior

Sandip Khan (2006 - 2012)  

Assistant Professor, IIT Patna ()

Research Topic: On The Phase Transitions of Hydrogen Bonded Fluids on Chemically and Physically Modified Surfaces

Prathima Gajbhiye (2005 - 2011)  

Assistant Professor, ISM Dhanbad ()

Research Topic: Synthesis of Benzimidazole group modified grafted PVA based Membranes for Applications in Direct Methanol Fuel Cell

Sudhir Kumar Singh (2004 - 2012)  

Associate Professor, Thapar University ()

Research Topic: Phase Equilibria and Interfacial Properties of Confined fluids

Ashish Bhateja (2008 - 2014)  

Assistant Professor, IIT Goa ()

Research Topic: Segregation of granular material: Theory, Experiments and Simulations

Prasad Sonar (2013 - 2019)  

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Research Topic: Granular flows over rigid inclined bases that are either spring supported or externally vibrated

Prantar Dutta (2018 - 2020)  

Researcher, Tata Research Development and Design Centre (prantar@iitk.ac.in)

Research Topic: Study of Drug-Lipid Interactions in Lipid Membranes using Molecular Dynamics Simulations

Tek Chand (2018 - 2019)  

Software Development Engineer, ZeMoSo Technologies (tekchand@iitk.ac.in)

Research Topic: Development of portable device for simultaneous determination of soil nutreints

Prerna (2017 - 2019)  

Doctoral Student, University of Minnesota (prerpd@iitk.ac.in)

Research Topic: Ice nucleation and water dynamics study

Ankit Srivastava (2017 - 2018)  

GET, NFL(National Feertilizer Limited) ()

Research Topic: Development of sol-gel membrane for sensing nitrate ions

Sauradeep Majumdar (2016 - 2018)  

Doctoral Researcher, EPFL (École polytechnique fédérale de Lausanne) (None)

Research Topic: Adsorptive separation of CO2 from multicomponent gas mixtures in nanoporous materials

Chandra Shekar Sahu (2016 - 2018)  

Product Analyst, Mesho (None)

Research Topic: Development of Handheld Device for Measurement of Micro and Macro Nutrients Concentration in Soil

Ketan Kumar (2015 - 2017)  

MBA, IIM Kolkata ()

Research Topic: Simple and green fabrication of recyclable highly hydrophobic/superoleophilic magnetic sorbents and filter paper for removal of oils and organic solvents from water

Sandeep Charan (2014 - 2016)  

Manager, American Express, New York, United States (None)

Research Topic: A Molecular Simulation Study of CO2 Adsorption using Functionalized and Non – functionalized CNTs

Naveen Rangera (2014 - 2016)  

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Research Topic: Effect of Different Surfactants on the Interfacial Behavior of n-Hexane-Water System in Presence of Silica, Titania and ZnO Nanoparticles

Nisha Masawan (2013 - 2015)  

Assistant Manager, Indian Oil Corporation Limited, Delhi (None)

Research Topic: Adsorption of silica nanoparticles on cellulose surface

Akshay Bansal (2013 - 2015)  

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Research Topic: A Density Functional Study of Inhomogeneous Fluids

Aman Sharma (2012 - 2014)  

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Research Topic: Molecular Simulations of Shale Gas Adsorption and Diffusion in Inorganic Nanopores.

Pooja Sahu (2011 - 2013)  

Scientist, BARC ()

Research Topic: Design, screening of ligands and fixing on a solid matrix to be used for isotope separation in chromatographic mode using advanced computation and experimental validation

Utsav Kumar (2011 - 2013)  

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Research Topic: Predicting Health of Lithium-ion Battery Using Multiscale Modeling

Haritha Banothu (2011 - 2013)  

Assistant Professor, RGUKT Basar ()

Research Topic:  Screening solvents for the removal of alkali metal ions from aqueous-organic system using molecular simulation

Rakesh Kandiboina (2009 - 2013)  

Staff Engineer, Bloom Energy Pvt Ltd- Product Development (None)

Research Topic: Structural and Transport properties of imidazolium based ionic liuids as electrolytes in Li-ion battries

Abhiram Hens (2008 - 2010)  

Assistant Professor NIT Durgapur, (None)

Research Topic: Vapor - liquid phase transition of sodium and 2D polymeric fluids

Ravi Chandra Dutta (2008 - 2010)  

PhD, Univ. of Queensland ()

Research Topic: Wetting Properties of Water on Smooth and Textured Surfaces: A Molecular Dynamics Study

Vishwa PS Marthi (2008 - 2010)  

Graduate student, Buffalo, New York, United States (None)

Research Topic: Vapor-liquid phase transition of associating fluids under slit-pore confinement

Naresh DJ (2007 - 2009)  

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Research Topic: Virial Equation of States of simple, associating and Colloidal fluids: A Monte Carlo study

Subimal Jana (2008 - 2009)  

Deputy Manager, Engineers India Limited, Gurgaon (None)

Research Topic: Phase behavior of square-well fluids in slit pores

Rohan Awasthi (2006 - 2008)  

Assistant Manager (Process, Quality & Mechanism), RHI Magnesita India Limited (Formerly: Orient Ref (None)

Research Topic: Simulation of Direct Methanol Fuel Cell (DMFC)

Naresh A Kumar (2006 - 2008)  

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Research Topic: Well fluids and one-site associating fluids in repulsive porous media

Lekkala Jaya Sree (2020 - 2022)  

Management Trainee, Navin Fluorine International Limited (jayasreelekkala1996@gmail.com)

Research Topic: Gas separation using porous materials: ML and MC

P. Santosh Kumar (2020 - 2022)  

Data Scientist, Tiger Analytics (mlexpert2603@gmail.com)

Research Topic: Screening of surfactant based on its effects on stability of the bio-enzymes formulated into laundry liquids

Bavita Kumari (2020 - )  

Management Trainee, ICICI (babitaanjani@gmail.com)

Research Topic: Force Field Development

Snehitha Srirangam (2020 - 2022)  

PhD Scholar, University of Amherst, USA (snehitha9988@gmail.com)

Research Topic: Understanding the effect of shear on Ice Nucleation

Vipin Kumar (Dec 2021 - )  

PhD, IISc Banglore, (vipinkr21@iitk.ac.in)

Research Topic: Understanding wettability of oil at different surfaces at brine condition

Priyanka Sinha (Dec 2021 - May 2023)  

Reliance, Mumbai, (psinha21@iitk.ac.in)

Research Topic: Machine Learning driven Discovery of two-dimensional catalysts for Hydrogen Evolution Reaction

Aindrila Indra (Dec 2021 - May 2023)  

Reliance, Jamnagar, (aindrilai21@iitk.ac.in)

Research Topic: Understanding the role of polymers on the nucleating behaviour of water in dilute supercooled solutions using Molecular Dynamics Simulations

Dantuluri Roshini (Dec 2021 - May 2023)  

PhD, University of Michigan, (rdantuluri21@iitk.ac.in)

Research Topic: A Combined DFT and Machine Learning Aided Screening of 2D photo-catalysts for efficient Hydrogen generation

Ajinkya Sanjay Athawale (Dec 2021 - 2023)  

Data Scientist, MLA Group (ajinkya21@iitk.ac.in)

Research Topic: Selective adsorption of CO2 using MOF

Ashar Ahmad (2019 - 2020)  

Digital Product Analyst, American Express (ashara@iitk.ac.in)

Research Topic: Soil Testing Device, CO2 adsorption on MOFs

Suraj K (2019 - 2021)  

PhD, University of Michigan (surajkm@iitk.ac.in)

Research Topic: Study of Salt-Water system under confinement

Soumyadeb Ghosh (2019 - 2021)  

Management Trainee under Future Leadership Program, Navin Flourine International Limited (soumi@iitk.ac.in)

Research Topic: Surfactactant contribution to reduction of interfacial tension Structure of micelles formed