Manish Kumar

Density functional theory for transition metals and transition metal chemistry

Mechanism of Methanol Synthesis on Cu through CO₂and CO Hydrogenation

Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes

Challenges for Density Functional Theory

A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

The electronic structures and properties of transition metal-doped silicon nanoclusters: A density functional investigation