| 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), 9, 2018 | 217 | 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 | 132 | 2015 |
| 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 | 36 | 2019 |
| Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent and the Bethe-Salpeter equation S Körbel, D Kammerlander, R Sarmiento-Pérez, C Attaccalite, ... Physical Review B 91 (7), 075134, 2015 | 36 | 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 | 32 | 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 | 31 | 2013 |
| Novel crystal structures for lithium–silicon alloy predicted by minima hopping method I Valencia-Jaime, R Sarmiento-Perez, S Botti, MAL Marques, M Amsler, ... Journal of Alloys and Compounds 655, 147-154, 2016 | 30 | 2016 |
| 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 | 30 | 2015 |
| 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 | 28 | 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 | 21 | 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 | 19 | 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 | 16 | 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 | 11 | 2018 |
| Efficient first-principles prediction of solid stability: Towards chemical accuracy. npj Computational Materials 4 Y Zhang, DA Kitchaev, J Yang, T Chen, ST Dacek, RA Sarmiento-Pérez, ... URL: http://dx. doi. org/10 1038, 2018 | 8 | 2018 |
| Ab initio prediction of crystalline phases and electronic properties of alloys and other compounds RS Pérez Université Claude Bernard-Lyon I, 2015 | | 2015 |
| Supplementary Material: Optimized Exchange and Correlation Semilocal Functional for the Calculation of Energies of Formation R Sarmiento-Pérez, S Botti, MAL Marques | | 2015 |
| 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 | | 2014 |
Miguel Alexandre Lopes MarquesRC-FEMS and Faculty of Mechanical Engineering, Ruhr University BochumVerified email at rub.de
