Rafael A. Sarmiento Perez
Rafael A. Sarmiento Perez
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Efficient first-principles prediction of solid stability: Towards chemical accuracy
Y Zhang, DA Kitchaev, J Yang, T Chen, ST Dacek, RA Sarmiento-Pérez, ...
npj Computational Materials 4 (1), 1-6, 2018
Prediction of stable nitride perovskites
R Sarmiento-Perez, TFT Cerqueira, S Körbel, S Botti, MAL Marques
Chemistry of Materials 27 (17), 5957-5963, 2015
Optimized exchange and correlation semilocal functional for the calculation of energies of formation
R Sarmiento-Perez, S Botti, MAL Marques
Journal of chemical theory and computation 11 (8), 3844-3850, 2015
Materials design on-the-fly
TFT Cerqueira, R Sarmiento-Pérez, M Amsler, F Nogueira, S Botti, ...
Journal of chemical theory and computation 11 (8), 3955-3960, 2015
Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent G W and the Bethe-Salpeter equation
S Körbel, D Kammerlander, R Sarmiento-Pérez, C Attaccalite, ...
Physical Review B 91 (7), 075134, 2015
Sodium–gold binaries: novel structures for ionic compounds from an ab initio structural search
R Sarmiento-Perez, TFT Cerqueira, I Valencia-Jaime, M Amsler, ...
New journal of physics 15 (11), 115007, 2013
Rare-earth magnetic nitride perovskites
JA Flores-Livas, R Sarmiento-Pérez, S Botti, S Goedecker, MAL Marques
Journal of Physics: Materials 2 (2), 025003, 2019
Novel crystal structures for lithium–silicon alloy predicted by minima hopping method
I Valencia-Jaime, R Sarmiento-Pérez, S Botti, MAL Marques, M Amsler, ...
Journal of Alloys and Compounds 655, 147-154, 2016
Surprising role of the BDC organic ligand in the adsorption of CO2 by MOF-5
RA Sarmiento-Perez, LM Rodriguez-Albelo, A Gomez, M Autie-Perez, ...
Microporous and Mesoporous Materials 163, 186-191, 2012
Novel phases of lithium-aluminum binaries from first-principles structural search
R Sarmiento-Pérez, TFT Cerqueira, I Valencia-Jaime, M Amsler, ...
The Journal of chemical physics 142 (2), 2015
The crystal structure of p-type transparent conductive oxide CuBO2
TFT Cerqueira, R Sarmiento-Pérez, F Trani, M Amsler, S Goedecker, ...
Mrs Communications 3 (3), 157-160, 2013
Local versus global electronic properties of chalcopyrite alloys: X-ray absorption spectroscopy and ab initio calculations
R Sarmiento-Pérez, S Botti, CS Schnohr, I Lauermann, A Rubio, ...
Journal of Applied Physics 116 (9), 2014
High-pressure phases of from the combination of Raman scattering and ab initio structural search
V Balédent, TTF Cerqueira, R Sarmiento-Pérez, A Shukla, C Bellin, ...
Physical Review B 97 (2), 024107, 2018
npj Comput. Mater. 4, 9 (2018)
Y Zhang, DA Kitchaev, J Yang, T Chen, ST Dacek, RA Sarmiento-Pérez, ...
Ab initio prediction of crystalline phases and electronic properties of alloys and other compounds
R Sarmiento Pérez
Lyon 1, 2015
Supplementary Material: Optimized Exchange and Correlation Semilocal Functional for the Calculation of Energies of Formation
R Sarmiento-Pérez, S Botti, MAL Marques
Systematic Phase Diagram of LiSi and LiAl compounds from Minima Hopping Method
A Romero, M Marques, S Botti, R Sarmiento-Pérez, I Valencia-Jaime, ...
APS March Meeting Abstracts 2014, A31. 004, 2014
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