Publications
· A. Roudgar, M. Eikerling, R. van Santen "Ab initio study of oxygen reduction mechanism at Pt4 cluster", J. Phys. Chem. Chem. Phys. C 12, 614 (2010)
· L. Wang, A. Roudgar, M. Eikerling, "Ab Initio Study of Stability and Site-Specific Oxygen Adsorption Energies of Pt Nanoparticles", J. Phys. Chem. C 113, 17989 (2009)
· A. Roudgar, S. P. Narasimachary, M. Eikerling, "Ab initio study of surface-mediated proton transfer in polymer electrolyte membranes", Chem. Phys. Lett. 457, 337 (2008)
· S. P. Narasimachary, A. Roudgar, M. Eikerling, "Ab initio study of interfacial correlations in polymer electrolyte membranes for fuel cells at low hydration", Electrochimica Acta 53, 6920 (2008)
· A. Roudgar, S. P. Narasimachary, M. Eikerling, "Hydrated arrays of acidic surface groups as model systems for interfacial structure and mechanisms in PEMs",  J. Phys. Chem. B 110, 20469 (2006)
· A. Roudgar, A. Gross, "Hydrogen adsorption energies on bimetallic systems at the solid-vacuum overlayer and the solid-liquid interface", Surf. Sci. 597, 42 (2005)
· A. Roudgar, A. Gross, "Water bilayer on the Pd/Au(111) overlayer system: Coadsorption and electric field effects", Chem. Phys. Lett., 409, 157 (2005)
· A. Roudgar, A. Gross, "Local reactivity of supported metal clusters: Pd-n on Au(111)", Surf. Sci., 559, L180 (2004)
· A. Roudgar, A. Gross, "Local reactivity of thin Pd overlayers on Au single crystals", J. Electroanal. Chem., 548, 121 (2003)
· A. Roudgar, A. Gross, "Local reactivity of metal overlayers: Density functional theory calculations of Pd on Au", Phys. Rev. B, 67, 033409 (2003)
· A. Akbarzadeh, "Theoretical study of NaCl under compression", Iranian J. Sci. and Tech., 20, 409 (1996)