P. Padma Kumar

Hydration, Swelling, Interlayer Structure, and Hydrogen Bonding in Organolayered Double Hydroxides:  Insights from Molecular Dynamics Simulation of Citrate-Intercalated Hydrotalcite

P. Padma Kumar, Andrey G. Kalinichev, R. James Kirkpatrick · The Journal of Physical Chemistry B · 2006 · 99 citations

Molecular Dynamics Simulation of the Energetics and Structure of Layered Double Hydroxides Intercalated with Carboxylic Acids

P. Padma Kumar, Andrey G. Kalinichev, R. James Kirkpatrick · The Journal of Physical Chemistry C · 2007 · 81 citations

Materials Science, Chemical Kinetics, Chemical Engineering +15

Dissociation of carbonic acid: Gas phase energetics and mechanism from <i>ab initio</i> metadynamics simulations

P. Padma Kumar, Andrey G. Kalinichev, R. James Kirkpatrick · The Journal of Chemical Physics · 2007 · 63 citations

Molecular dynamics computer simulations of the effects of hydrogen bonding on the properties of layered double hydroxides intercalated with organic acids

Andrey G. Kalinichev, P. Padma Kumar, R. James Kirkpatrick · The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics · 2010 · 59 citations

Engineering, Anion Exchange Capabilities, Layered Double Hydroxides +18

Influence of Si/P ordering on Na+ transport in NASICONs

Supriya Roy, P. Padma Kumar · Physical Chemistry Chemical Physics · 2013 · 41 citations

Si/p Order, Engineering, Molecular Dynamics Simulation +16