Malani Simulation Group's
Materials Modeling and Simulation Laboratory
Last Updated on May 5, 2024
To design new potential porous materials for the adsorption and separation of liquids and gases and to understand the interfacial structure and dynamics of molecules and nanoparticles, we use a multiscale simulation approach. In this approach, to simulate molecular interactions at multiple time and length scales, we do Quantum Mechanical calculations to obtain the electronic structure, and further, we perform Monte Carlo (MC) and Molecular Dynamics (MD) simulations. We also use Dissipative Particle Dynamics (DPD) simulations and continuum scale modeling to simulate materials at larger lengths and time scales.
Latest News
Feb 29, 2024
Prashil won the 'AIP Sponsored Best Poster Presentation Award' at MD@60
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!
Dec 12, 2023
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.
June 24, 2023
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!
June 24, 2023
Anju Presented a 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.
June 2, 2023
Dr. 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
June 2, 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
March 2023
Dr. Sai Krishna got post-doctoral position at Oak Ridge National Lab USA
Congratulations, Dr. Sai!
March 25, 2023
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!
March 25, 2023
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.
2022
Dr. Sai Krishna received the 'Best PhD thesis Award' for his doctoral research
Congratulations, Dr. Sai!
