Reseach Interests

Computational Materials Science  -- Applications of Density Functional Theory and Born-Oppenheimer Molecular Dynamics


Heterogeneous Catalysis -- Reactions at surfaces -- Water gas shift reaction, Epoxidation etc.

Understanding Reactivity at Nanoscale -- size specific reactivity of atomic clusters

Energy Storage Materials -- Li-ion Batteries

2D materials -- magnetism in graphene nanoribbons (GNRs)

Atomic Clusters -- growth patterns -- finite temperature behaviour

 

 Contact

     Kavita Joshi

    Right wing, "Convergence/MSM"

    Physical and Materials Chemistry Division,

    CSIR - National Chemical Laboratory

    Ph. No. 020 2590 2476

    Email: k.joshi@ncl.res.in