About the group

We employ simulations, both ab initio and classical, in conjunction with experiments to gain insight into the atomic-level interactions that govern macroscopic behaviour. 

•  Mission - Engineering the next generation of materials

•  Research Areas - Adsorption, Kinetic Separations, Electrode-electrolyte Interface , Drug Delivery

• Experimental Facilities - Gas Permeation Set up , Gas Adsorption Set up

• Computational Methods/Tools - Molecular Dynamics (LAMMPS), Monte Carlo (RASPA, DL_MONTE), Quantum Mechanic Packages (VASP, CP2K)

•  Computer Skills - Python, C/C++, C#, FORTRAN90, MATLAB, Linux systems

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