Personal profile
Education
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B.Tech. in Chemical Engineering, 2009, B V Raju Institute of Technology, Hyderabad
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M.E. in Chemical Engineering, 2011, BITS Pilani, K K Birla Goa Campus, Goa
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Ph.D. in Chemical Engineering, 2018, IIT Bombay, Mumbai
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Post Doctoral Research Associate, 2018, University College London, London
Experience
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Assistant Professor, August 2021 to Present, MIT-MAHE Manipal.
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Post Doctoral Research Associate at University College London, London
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Research Associate at IIT Bombay
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Project Assistant BITS-Pilani
Awards:
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R.G. Manudhane PhD Excellence Award for outstanding Ph.D. thesis in the Department of Chemical Engineering (2018), IIT Bombay, Mumbai.
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Garuda Challenge Award at Parallel Computing Technologies (PARCOMPTECH-2013), Centre for Development of Advanced Computing (CDAC), Bengaluru.
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Best Paper Award at VIth International Conference on Advances in Energy Research (ICAER-2017), IIT Bombay, Mumbai.
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Second Prize for Poster Presentation at Research Scholars Confluence & Alumni Meet (ReSConAM 2017), IIT Bombay, Mumbai.
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International Travel Grant from the Centre for International Co-operation in Science (CICS), Chennai, to attend AIChE - 2016 Annual Meeting, San Francisco, USA.
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Full Scholarship for the Master’s program (2009-11) at Birla Institute of Technology & Science, Pilani, K. K. Birla Goa Campus, Goa.
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Won First Prize for designing a water filter to purify turbid water in the FILTRON event at TECHFEST-2008, IIT Bombay, Mumbai.
Research interests
Molecular Simulations, Molecular Dynamics, Monte Carlo Simulations, Nanoparticles, Metal Alloys, Energy Storage, Hydrogen Storage, MOF/COF, Batteries, Drug Delivery Systems, Nanoemulsions
Current Responsibilities:
Newsletter Editor: TEMPUS, Newsletter for Department of Chemical Engineering, MIT
Faculty Coordinator: B.Tech. Project Work/ Practice School
High-Performance Computing Coordinator: Instituting servers, workstations, and cloud-based HPC facilities with GPUs
Industry Advisory Committee Coordinator: Academia-industry collaborations for internships, training, placements, conferences, faculty development programs/exchanges.
Event Organizer: Schrodinger Material Science Workshops, JMP Expert Talk Series, CDAC HPC Training Sessions
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Collaborations and top research areas from the last five years
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Extraction of Lithium from an Aqueous Solution Using a Hydrophobic Deep Eutectic Solvent: A Combined Experimental and Classical Molecular Dynamics Study
Udaykumar, S. Y., Carpenter, J., Divi, S., Das, N. K., K, S. B., Vatti, A. K. & Banerjee, T., 14-01-2026, In: Industrial and Engineering Chemistry Research. 65, 1, p. 799-808 10 p.Research output: Contribution to journal › Article › peer-review
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Functionalization of Boron Nitride Nanotubes for Hydrogen Storage Applications: A Multiscale Simulations Study
Oluwaiye, U. E., Vatti, A. K., Acharya, S., Madakyaru, M. & Divi, S., 14-04-2026, In: International Journal of Hydrogen Energy. 225, 154452.Research output: Contribution to journal › Article › peer-review
Open Access -
Encapsulation of curcumin in groundnut oil-in-water (O/W) nanoemulsions: Experimental analysis and molecular dynamics simulations
Mathias, G. N., Krishna Goud, K. V., Divi, S., Vatti, A. K., Carpenter, J. & Manickam, S., 12-2025, In: Ultrasonics Sonochemistry. 123, 107686.Research output: Contribution to journal › Article › peer-review
Open Access5 Link opens in a new tab Citations (Scopus) -
Lithium extraction using ionic liquids: Insights from quantum chemical and molecular dynamics simulations
Y.U., S., Boruah, P. J., K., S. B., Vatti, A. K., Divi, S. & Banerjee, T., 12-2025, In: Journal of Ionic Liquids. 5, 2, 100177.Research output: Contribution to journal › Article › peer-review
Open Access -
Effectiveness of inhibitors to prevent asphaltene aggregation: Insights from atomistic and molecular simulations
Vatti, A. K., Divi, S. & Dey, P., 07-03-2024, In: Journal of Chemical Physics. 160, 9, 090901.Research output: Contribution to journal › Short survey › peer-review
Open Access10 Link opens in a new tab Citations (Scopus)