List of works - Ismaila Dabo

Atomic-scale polarization switching in wurtzite ferroelectrics

scientific article published on 08 June 2023

Bridging density-functional and many-body perturbation theory: Orbital-density dependence in electronic-structure functionals

scientific article published on 27 May 2014

Chemisorbed Molecules under Potential Bias: Detailed Insights from First-Principles Vibrational Spectroscopies

scientific article published in March 2014

Donor and acceptor levels of organic photovoltaic compounds from first principles.

scientific article published on 21 November 2012

Effects of surface charge and cluster size on the electrochemical dissolution of platinum nanoparticles using COMB3 and continuum electrolyte models

scientific article published on 01 February 2020

Electrochemical stability and light-harvesting ability of silicon photoelectrodes in aqueous environments

scientific article published on 01 July 2019

Electrostatics in periodic boundary conditions and real-space corrections

scholarly article in Physical Review B, vol. 77 no. 11, March 2008

Erratum: Electrostatics in periodic boundary conditions and real-space corrections [Phys. Rev. B77, 115139 (2008)]

scholarly article published in Physical Review B

First-principles photoemission spectroscopy and orbital tomography in molecules from koopmans-compliant functionals.

scientific article published on 24 April 2015

Koopmans-compliant functionals and their performance against reference molecular data

scientific article published on 20 August 2014

Koopmans’ condition for density-functional theory

scientific article published on 23 September 2010

Optimized utilization of COMB3 reactive potentials in LAMMPS

scientific article published on 01 June 2020

Phase-Selective Solution Synthesis of Perovskite-Related Cesium Cadmium Chloride Nanoparticles

scientific article published on 06 August 2020

Photophysics and Electronic Structure of Lateral Graphene/MoS2 and Metal/MoS2 Junctions

scientific article published on 16 November 2020

Piecewise linearity and spectroscopic properties from Koopmans-compliant functionals.

scientific article published in January 2014

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

2009 scientific article

Removal mechanism of high concentration borate by co-precipitation with hydroxyapatite

scientific article published in March 2016

Revised self-consistent continuum solvation in electronic-structure calculations.

scientific article published in February 2012

Role of electronic localization in the phosphorescence of iridium sensitizing dyes

scientific article published on 01 October 2012

Spatio-temporal symmetry - crystallographic point groups with time translations and time inversion

scientific article published on 06 June 2018

Vibrational probe of the origin of singlet exciton fission in TIPS-pentacene solutions

scientific article published on 01 October 2019

Voltage effects on the stability of Pd ensembles in Pd-Au/Au(111) surface alloys

scientific article published on 01 January 2019

List of works by Ismaila Dabo