Ismaila Dabo
TitleCited byYear
Quantum-Espresso: a modular and open-source software project for quantum simulations of materials
P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, ...
Journal of Physics: Condensed Matter 21, 395502, 2009
132892009
Revised self-consistent continuum solvation in electronic-structure calculations
O Andreussi, I Dabo, N Marzari
Journal of Chemical Physics 136, 064102, 2012
1992012
Koopmans’ condition for density-functional theory
I Dabo, A Ferretti, N Poilvert, Y Li, N Marzari, M Cococcioni
Physical Review B 82, 115121, 2010
1372010
Electrostatics in periodic boundary conditions and real-space corrections
I Dabo, B Kozinsky, NE Singh-Miller, N Marzari
Physical Review B 77, 115139, 2008
1032008
Koopmans-compliant functionals and their performance against reference molecular data
G Borghi, A Ferretti, NL Nguyen, I Dabo, N Marzari
Physical Review B 90, 075135, 2014
522014
Vibrational recognition of adsorption sites for CO on platinum and platinum-ruthenium surfaces
I Dabo, A Wieckowski, N Marzari
Journal of the American Chemical Society 129, 11045-11052, 2007
412007
Donor and acceptor levels of organic photovoltaic compounds from first principles
I Dabo, A Ferretti, CH Park, N Poilvert, Y Li, M Cococcioni, N Marzari
Physical Chemistry Chemical Physics 15, 685-695, 2013
402013
First-principles photoemission spectroscopy and orbital tomography in molecules from Koopmans-compliant functionals
NL Nguyen, G Borghi, A Ferretti, I Dabo, N Marzari
Physical Review Letters 114, 166405, 2015
342015
Bridging density-functional and many-body perturbation theory: Orbital-density dependence in electronic-structure functionals
A Ferretti, I Dabo, M Cococcioni, N Marzari
Physical Review B 89, 195134, 2014
272014
Ferroelectric transistor model based on self-consistent solution of 2D Poisson's, non-equilibrium Green's function and multi-domain Landau Khalatnikov equations
AK Saha, P Sharma, I Dabo, S Datta, SK Gupta
IEEE International Electron Devices 13 (5), 1-4, 2017
252017
First-principles simulation of arsenate adsorption on the () surface of hematite
M Blanchard, G Morin, M Lazzeri, E Balan, I Dabo
Geochimica et Cosmochimica Acta 86, 182-195, 2012
252012
Role of electronic localization in the phosphorescence of iridium sensitizing dyes
B Himmetoglu, A Marchenko, I Dabo, M Cococcioni
Journal of Chemical Physics 137, 154309, 2012
202012
Piecewise linearity and spectroscopic properties from Koopmans-compliant functionals
I Dabo, A Ferretti, N Marzari
First Principles Approaches to Spectroscopic Properties of Complex Materials …, 2014
192014
Single-crystal silicon optical fiber by direct laser crystallization
X Ji, S Lei, SY Yu, HY Cheng, W Liu, N Poilvert, Y Xiong, I Dabo, ...
American Chemical Society (ACS) Photonics 4, 85-92, 2017
182017
Electronic levels and electrical response of periodic molecular structures from plane-wave orbital-dependent calculations
Y Li, I Dabo
Physical Review B 84, 155127, 2011
172011
Quantum-continuum simulation of the electrochemical response of pseudocapacitor electrodes under realistic conditions
ND Keilbart, Y Okada, A Feehan, S Higai, I Dabo
Physical Review B 95, 115423, 2017
162017
Triplet transfer mediates triplet pair separation during singlet fission in 6,13‐bis(triisopropylsilylethynyl)‐pentacene
C Grieco, GS Doucette, JM Munro, ER Kennehan, Y Lee, A Rimshaw, ...
Advanced Functional Materials 27, 1703929, 2017
142017
Quantum-continuum simulation of underpotential deposition at electrified metal-solution interfaces
SE Weitzner, I Dabo
Nature Partner Journal (NPJ) Computational Materials 3, 1, 2017
122017
Quantum-continuum calculation of the surface states and electrical response of silicon in solution
Q Campbell, I Dabo
Physical Review B 95, 205308, 2017
112017
Chemisorbed molecules under potential bias: detailed insights from first-principles vibrational spectroscopies
N Bonnet, I Dabo, N Marzari
Electrochimica Acta 121, 210-214, 2014
102014
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Articles 1–20