Research

I. Postdoctoral Research Topics:

1. Dynamics of noble gas collision on ice surface

2. Dynamics of soft landing of peptide ions on organic surfaces

3. Dynamics of energy exchange in turbulent flows

4. Dynamics of poly aromatic hydrocarbon (PAH) aggregation and dissociation related to soot formation

5. Dynamics of chemical reactions in the gas phase

6. Dynamics of collision induced dissociation of peptide ions

Computational Methods:

Quantum Chemical calculations of potential energy surface (PES) properties

Quantum chemical calculations followed by parameterization of PES for development of force field parameters

Chemical dynamics simulations at purely MM level applying VENUS package

QM and QM/MM direct dynamics simulations applying VENUS/NWChem and VENUS/MOPAC

II. Doctoral Research Topic:

6. Structure, energetics and dynamics of electron solvation in polar medium,

7. Structure and energetics of micro solvation of metal atom in small water or water/ammonia clusters

8. Molecular dynamics studies of electron hydration dynamics

Computational Methods:

Quantum chemical calculations for structure, and energetics applying Gaussian

First principle molecular dynamics applying CMPD package

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