Thermodynamics

Both Monte Carlo and molecular dynamics simulations will be performed in this proposed study using open source software packages MCCCS Towhee and GROMACS respectively as well as in-house codes, for post-processing of output data.

Computer-aided molecular design of new, non-traditional solvents is also part of the overall computational scheme.

This project is a large scale CFD (LES - large eddy simulation) investigation of wind-generated ocean waves leading to wave breaking leading to sea spray formation [1]. The work will be jointly supervised with two other faculty members at IIT Madras (Prof. Anubhab Roy) and IIT Ropar (Prof. Devranjan Simanta). The student is expected to simulate wind generation of waves and turbulence in the uppermost layer of the ocean, wave breaking, bubble entrapment and fragmentation, bubble bursting and aerosol spray formation using LES based tools.