List of works - Ram Devanathan

Ab initio molecular dynamics simulation of proton hopping in a model polymer membrane.

scientific article

Ab initio study of hydration and proton dissociation in ionomer membranes

scientific article published on 01 July 2010

Atomistic simulation of nafion membrane. 2. Dynamics of water molecules and hydronium ions

scientific article published on 20 October 2007

Atomistic simulation of nafion membrane: I. Effect of hydration on membrane nanostructure

scientific article published on 20 June 2007

Atomistic simulation of track formation by energetic recoils in zircon

scientific article published on 17 September 2010

Atomistic simulation of water percolation and proton hopping in Nafion fuel cell membrane.

scientific article published in November 2010

Atomistic simulations of hydrated nafion and temperature effects on hydronium ion mobility

scientific article published on 23 May 2007

Atomistic simulations of perfluoro phosphonic and phosphinic acid membranes and comparisons to Nafion.

scientific article published on 10 March 2011

Defect interactions and ionic transport in scandia stabilized zirconia

scientific article published on 22 April 2009

Energetic recoils in UO2 simulated using five different potentials

scientific article published on 01 May 2009

First-principles study of defects and phase transition in UO(2).

scientific article published on 5 October 2009

Heavy-ion irradiation effects on structures and acid dissolution of pyrochlores

Highly Selective Supported Graphene Oxide Membranes for Water-Ethanol Separation

scientific article published on 19 February 2019

Insight from molecular modelling: does the polymer side chain length matter for transport properties of perfluorosulfonic acid membranes? ⬇️

scientific article published on April 19, 2012

Modeling and simulation of nuclear fuel materials

scientific article

Modeling the nanophase structural dynamics of phenylated sulfonated poly ether ether ketone ketone (Ph-SPEEKK) membranes as a function of hydration

scientific article published on 03 February 2011

Molecular Dynamics Simulations Reveal that Water Diffusion between Graphene Oxide Layers is Slow

scientific article published on 08 July 2016

Molecular structure and transport dynamics in perfluoro sulfonyl imide membranes.

scientific article published on 25 May 2011

Molecular-dynamics simulation of electron-irradiation-induced amorphization of NiZr2

scientific article published on 01 July 1993

Radiation tolerance of ceramics—insights from atomistic simulation of damage accumulation in pyrochlores

article

Stabilization Mechanisms of LaFeO3 (010) Surfaces Determined with First Principles Calculations

Structure and dynamics of N,N-diethyl-N-methylammonium triflate ionic liquid, neat and with water, from molecular dynamics simulations.

scientific article published on 10 November 2010

List of works by Ram Devanathan