activity
20142022
most citedProjector augmented-wave and all-electron calculations across the periodic table: a comparison of structural and energetic properties

41 citations · 80 across the 4 of their papers we have counts for

collaborators
Showing 2016Show all

1 paper · 1 filter

physics.comp-ph2016★ 29 cited

Elastic constants and thermodynamics properties of pristine PEDOT revealed: A first-principles PBE/PBE PAW approach

R. O. Agbaoye, P. O. Adebambo, J. O. Akinlami +4

In this work, we report for the first time, detailed calculations of elastic and thermodynamic properties of organic poly(3,4-ethylenedioxythiophene), PEDOT, in an undiluted state,…