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Ismaila Dabo
Ismaila Dabo
Associate Professor, Corning Faculty Fellow of Materials Science, Pennsylvania State University
Verified email at psu.edu - Homepage
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Cited by
Year
: 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
275082009
Revised self-consistent continuum solvation in electronic-structure calculations
O Andreussi, I Dabo, N Marzari
Journal of Chemical Physics 136, 064102, 2012
4692012
New frontiers for the materials genome initiative
JJ de Pablo, NE Jackson, MA Webb, LQ Chen, JE Moore, D Morgan, ...
Nature Partner Journal (NPJ) Computational Materials 5, 41, 2019
3742019
Koopmans’ condition for density-functional theory
I Dabo, A Ferretti, N Poilvert, Y Li, N Marzari, M Cococcioni
Physical Review B 82, 115121, 2010
2142010
Electrostatics in periodic boundary conditions and real-space corrections
I Dabo, B Kozinsky, NE Singh-Miller, N Marzari
Physical Review B 77, 115139, 2008
1622008
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
1142014
Ferroelectric transistor model based on self-consistent solution of 2D Poisson's, non-equilibrium Green's function and multi-domain Landau Khalatnikov equations (conference …
AK Saha, P Sharma, I Dabo, S Datta, SK Gupta
Institute of Electrical and Electronics Engineers (IEEE) International …, 2017
992017
Extensive benchmarking of DFT+U calculations for predicting band gaps
NE Kirchner-Hall, W Zhao, Y Xiong, I Timrov, I Dabo
Applied Sciences 11, 2395, 2021
932021
Machine learning in concrete science: Applications, challenges, and best practices
Z Li, J Yoon, R Zhang, F Rajabipour, WV Srubar III, I Dabo, A Radlinska
Nature Partner Journal (NPJ) Computational Materials 8, 127, 2022
852022
Ferroelectricity in boron-substituted aluminum nitride thin films
J Hayden, MD Hossain, Y Xiong, K Ferri, W Zhu, MV Imperatore, ...
Physical Review Materials 5, 044412, 2021
762021
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
562017
Spectroscopic and first-principles investigations of iodine species incorporation into ettringite: Implications for iodine migration in cement waste forms
B Guo, Y Xiong, W Chen, SA Saslow, N Kozai, T Ohnuki, I Dabo, K Sasaki
Journal of Hazardous Materials 389, 121880, 2020
552020
Understanding the influence of defects and surface chemistry on ferroelectric switching: A ReaxFF investigation of BaTiO3
D Akbarian, DE Yilmaz, Y Cao, P Ganesh, I Dabo, J Munro, ...
Physical Chemistry Chemical Physics 21, 18240-18249, 2019
542019
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
542017
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
492013
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
482014
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
482007
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
472015
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
442012
Single-step synthesis of oxygen-doped hollow porous graphitic carbon nitride for photocatalytic ciprofloxacin decomposition
C Chuaicham, K Sekar, Y Xiong, V Balakumar, Y Mittraphab, K Shimizu, ...
Chemical Engineering Journal 425, 130502, 2021
412021
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