Dr. Nakul Rampal Delivered a Departmental Talk

Dr. Nakul Rampal, our group alumnus, currently working with Prof. Omar Yaghi (2025 Nobel Laureate), delivered a talk on “Advancing Reticular Chemistry with Generative AI” in our department. He discussed how large language models are being applied to accelerate research in reticular chemistry and porous material discovery.

Siva and Ashok Joined the Group!

We are happy to welcome Siva and Ashok to the group. Wishing them a rewarding and successful research journey ahead.

Dr. Kareem presented his work at COMPFLU 2025

Dr. Kareem presented his research on natural gas adsorption in porous materials using Grand Canonical Monte Carlo simulations at the Complex Fluids (COMPFLU) Conference 2025, held at IISc Bangalore.

Prashil presented his work at COMPFLU 2025

Prashil presented his work on Enhanced Oil Recovery using Molecular Simulation at the Complex Fluids (COMPFLU) Conference 2025, held at IISc Bangalore.

Thanks to the 𝗣𝗿𝗶𝗺𝗲 𝗠𝗶𝗻𝗶𝘀𝘁𝗲𝗿’𝘀 𝗥𝗲𝘀𝗲𝗮𝗿𝗰𝗵 𝗙𝗲𝗹𝗹𝗼𝘄𝘀𝗵𝗶𝗽, 𝗚𝗼𝘃𝗲𝗿𝗻𝗺𝗲𝗻𝘁 𝗼𝗳 𝗜𝗻𝗱𝗶𝗮, for the financial support.

Prashil presented his work at the 2025 AIChE Annual Meeting at Boston

Prashil presented his industrial research work carried out under the Indo-German Science & Technology Center fellowship at BASF, Germany, on ‘INTERFACE Force Fields Models of Iron Oxides'.  

Thanks to the 𝗣𝗿𝗶𝗺𝗲 𝗠𝗶𝗻𝗶𝘀𝘁𝗲𝗿’𝘀 𝗥𝗲𝘀𝗲𝗮𝗿𝗰𝗵 𝗙𝗲𝗹𝗹𝗼𝘄𝘀𝗵𝗶𝗽, 𝗚𝗼𝘃𝗲𝗿𝗻𝗺𝗲𝗻𝘁 𝗼𝗳 𝗜𝗻𝗱𝗶𝗮, for the financial support.

Gautam Received the 'Best M.Tech. Thesis Award' for his Master's Research

Congratulations to Gautam on receiving the Best M.Tech. Thesis Award at the recent convocation. He worked on natural gas storage using graphene oxide under the guidance of Prof. Ateeque Malani and Prof. Sanjog Nagarkar.

Nithya Joined the Group!

We are pleased to welcome Nithya to the group.  We look forward to her contributions and wish her the very best in her research journey.

Prashil presented his work at Shell.ai Scientific Conference

Prashil presented his work on 'Molecular Simulation Studies of Enhanced Oil Recovery' at Shell.at Scientific Conference 2025, organized by Shell R&D Center Bangalore.​

Prashil Won the 'Best Oral Presentation Award' at RSS 2025

Prashil presented the work on 'Design of sustainable organic coatings for metal protection using molecular simulations at the annual Research Scholars' Symposium (RSS) 2025 of the Chemical Engineering Department at IIT Bombay.

Congratulations, Prashil!

Dr. Abdulkareem Joined the Group!

Welcome, Dr. Kareem! We look forward to your contributions and wish you success in your postdoctoral research.

Prof. Malani delivered a talk at the National Seminar on Computational Science

Dr. Malani delivered an invited talk on Synthesis of Porous Materials Using Molecular Simulations at the National Seminar on Computational Science and Prof Shridhar R Gadre’s 75th Birthday Festschrift Symposium.

Shubham Received Prestigious Indo-German Science Technology (IGSTC) Fellowship Award

Shubham received the prestigious 'Indo-German Science Technology Fellowship Award', a joint initiative by the Department of Science and Technology (DST), Government of India, and the Federal Ministry of Education and Research (BMBF), Government of Germany. Through this fellowship, he will be working with BASF Germany for six months. This is the second time a student from our group has received this fellowship.

Congratulations, Shubham !!

IGSTC Highlights Prashil’s Work at BASF SE, Germany

Prashil is featured by the Indo-German Science & Technology Centre (IGSTC) under their Industrial Fellowship Program.

Full video is available at: https://www.youtube.com/watch?v=e3UKkCbp3Ew&ab_channel=IGSTC​

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We thank IGSTC and BASF for supporting this valuable opportunity.

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Surendra Got a Placement Offer from Reliance Industries Ltd.

Congratulations to Surendra on his hard work paying off! He has been placed with Reliance Industries Ltd. and is set to join the company in August 2025.

Well done, Surendra!

Our Recent Work on Asphaltene Adsorption Published in Fluid Phase Equibria

Our research work titled 'Probing the energy landscapes and adsorption behaviour of asphaltene molecules near the silica surface: Insights from molecular simulations' has been published in Fluid Phase Equilibria. It can be downloaded from: https://doi.org/10.1016/j.fluid.2024.114295

Congratulations, Shubham & Prashil, for their third publication !!

Our work as the front cover of American Chemical Society (ACS) Energy & Fuels Journal

The cover art associated with our recent work on asphaltene adsorption is featured as the front cover of the journal ACS Energy & Fuels. https://pubs.acs.org/toc/enfuem/current

Congratulations, Shubham & Prashil, for the achievement !!

Prashil Joined BASF SE Germany as Indo-German Science Technology Fellow

Prashil has started working with the world's top chemical company, BASF SE Germany, as an Indo-German Science Technology Fellow. He will be working on 'Application of Interface Force Field model of metal oxides for the surface pretreatment technology'.

Congratulations Prashil !!

Our Recent Work on Asphaltene Adsorption Published in ACS Energy & Fuels

Our research work titled 'Computational Study of Asphaltene Adsorption on Carbonate Surface: Role of Molecular Structure and Oil Phase' has been published in ACS Energy & Fuels. It can be downloaded from:  https://doi.org/10.1021/acs.energyfuels.4c01744

Congratulations, Shubham & Prashil, for their second publication !!

Prof. Malani Delivered a talk at IIT Roorkee

Dr. Malani delivered a talk on 'Polymerization Kinetics of Inorganic Molecules and Interfacial Behaviour of Alkanes Probed Using Molecular Simulations' at the Department of Polymer and Process Engineering IIT Roorkee.

Prashil Received Prestigious Indo-German Science Technology Fellowship Award

Prashil received the prestigious 'Indo-German Science Technology Fellowship Award', a joint initiative by the Department of Science and Technology (DST), Government of India, and the Federal Ministry of Education and Research (BMBF), Government of Germany. Through this fellowship, he will be working with BASF Germany for six months.

Congratulations, Prashil !!

Prof. Malani Delivered a talk at the Molecular Modelling in Clay Science Meeting & Workshop

Dr. Malani delivered a talk on 'Role of Ion-Size and Ion-Hydration on Clay Swelling' at the Molecular Modelling in Clay Science Meeting & Workshop 2024 by University of Edinburgh, Scotland.

Prashil Presented his work at the Molecular Modelling in Clay Science Meeting & Workshop

Prashil presented his research on 'Enhanced Oil Recovery using Molecular Simulation at the Molecular Modelling in Clay Science Meeting & Workshop 2024 by University of Edinburgh, Scotland.

Prashil Won the 'AIP Sponsored Best Poster Presentation Award' at MD@60 conference 

Prashil presented a poster on 'Asphaltene adsorption at oil-mineral interface'  at the MD@60 conference by the Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore - Centre Européen de Calcul Atomique et Moléculaire (JNCASR-CECAM).

Congratulations, Prashil! 

Shubham Presented his work at ICAER 2023

Shubham presented his work on 'Light Crude Rock interactions'  at the 9th International Conference on Advances in Energy Research at IIT Bombay.

Prashil Won the 'ACS Best Poster Presentation Award' 

Prashil presented a poster on 'Light Crude Oil adsorption on Rock Surfaces' at the National Seminar & Discussion Meeting on Simulations in Polymers, Materials, and Biomolecules at Somaiya Vidyavihar University.

Congratulations, Prashil!

Anju Presented Poster at the National Seminar  on Simulations

Anju presented a poster on 'Applications of molecular simulations in Enhanced Oil Recovery'  at the National Seminar & Discussion Meeting on Simulations in Polymers, Materials, and Biomolecules at Somaiya Vidyavihar University.

Prof. Malani Delivered a talk at IIT Bombay's Outreach Symposium

Dr. Malani delivered a talk on 'Probing the Synthesis of Porous Materials Using Molecular Simulations' at IIT Bombay's Outreach Symposium on Molecular Simulations: Advances and Applications 2023

Prashil Presented his work at IIT Bombay's Outreach Symposium

Prashil presented his research on 'Enhanced Oil Recovery using Molecular Simulation at IIT Bombay's Outreach Symposium on Molecular Simulations: Advances and Applications 2023

Dr. Sai Krishna Got Post-Doctoral Position at Oak Ridge National Lab USA

Congratulations, Dr. Sai!

Prashil Won the 'Best Oral Presentation Award' at RSS 2023

Prashil presented his research on 'Molecular Simulation studies of Enhanced Oil Recovery (EOR) at the annual Research Scholars' Symposium (RSS) 2023 of the Chemical Engineering Department at IIT Bombay.

Congratulations, Prashil!

Shubham Presented Poster at RSS 2023

Shubham presented a poster on 'Molecular Simulation studies of Enhanced Oil Recovery (EOR) at the annual Research Scholars' Symposium (RSS) 2023 of the Chemical Engineering Department at IIT Bombay.

Dr. Sai Krishna Received the 'Best PhD Thesis Award' for his Doctoral Research

Congratulations, Dr. Sai!