| Design of Mg alloys: The effects of Li concentration on the structure and elastic properties in the Mg-Li binary system by first principles calculations O Pavlic, W Ibarra-Hernandez, I Valencia-Jaime, S Singh, ... Journal of Alloys and Compounds 691, 15-25, 2017 | 46 | 2017 |
| Investigation of novel crystal structures of Bi–Sb binaries predicted using the minima hopping method S Singh, W Ibarra-Hernández, I Valencia-Jaime, G Avendaño-Franco, ... Physical Chemistry Chemical Physics 18 (43), 29771-29785, 2016 | 40 | 2016 |
| Effect of hydrostatic pressure on the thermoelectric properties of Bi 2 Te 3 W Ibarra-Hernández, MJ Verstraete, JY Raty Physical Review B 90 (24), 245204, 2014 | 38 | 2014 |
| Structural search for stable Mg–Ca alloys accelerated with a neural network interatomic model W Ibarra-Hernández, S Hajinazar, G Avendaño-Franco, ... Physical Chemistry Chemical Physics 20 (43), 27545-27557, 2018 | 23 | 2018 |
| Direct Magnetization-Polarization Coupling in AC Garcia-Castro, W Ibarra-Hernandez, E Bousquet, AH Romero Physical Review Letters 121 (11), 117601, 2018 | 21 | 2018 |
| Ab initio density functional theory study of the electronic, dynamic, and thermoelectric properties of the crystalline pseudobinary chalcogenide … W Ibarra-Hernández, JY Raty Physical Review B 97 (24), 245205, 2018 | 21 | 2018 |
| Prediction, and physic-chemical properties of (TiO2) nn= 15–20 clusters and their possible catalytic application: A DFT study AB Hernández, WI Hernández, AAP Cid, JHC García, MS Villanueva Computational Materials Science 162, 228-235, 2019 | 17 | 2019 |
| Retention of carbon monoxide onto magnetic [BN fullerene: B6]− and [BN fullerene: C6]− nanocomposites EC Anota, MS Villanueva, AB Hernández, WI Hernández, M Castro Applied Physics A 124, 1-17, 2018 | 14 | 2018 |
| Electrostatic potential and valence modulation in La0.7Sr0.3MnO3 thin films R Trappen, AC Garcia-Castro, VT Tra, CY Huang, W Ibarra-Hernandez, ... Scientific reports 8 (1), 14313, 2018 | 13 | 2018 |
| Electronic structure, lattice dynamics, and optical properties of a novel van der Waals semiconductor heterostructure: W Ibarra-Hernández, H Elsayed, AH Romero, A Bautista-Hernández, ... Physical Review B 96 (3), 035201, 2017 | 12 | 2017 |
| Exploring DFT+U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling P Tavadze, R Boucher, G Avendaño-Franco, KX Kocan, S Singh, ... npj Computational Materials 7 (1), 182, 2021 | 11 | 2021 |
| Lattice dynamics and spin–phonon coupling in the noncollinear antiferromagnetic antiperovskite Mn3NiN L Flórez-Gómez, W Ibarra-Hernández, AC Garcia-Castro Journal of Magnetism and Magnetic Materials 562, 169813, 2022 | 9 | 2022 |
| Isotopic Heft on the B1l Silent Mode in Ultra-Narrow Gallium Nitride Nanowires C Rodríguez-Fernández, M Almokhtar, W Ibarra-Hernández, ... Nano Letters 18 (8), 5091-5097, 2018 | 9 | 2018 |
| Modification of electronic and thermoelectric properties of InSe/GaSe superlattices by strain engineering W Ibarra-Hernández, AC Garcia-Castro, A Bautista-Hernández, ... Physical Review Materials 6 (2), 025403, 2022 | 7 | 2022 |
| Lattice dynamics and phase stability of rhombohedral antimony under high pressure A Minelli, SM Souliou, T Nguyen-Thanh, AH Romero, J Serrano, ... Physical Review B 100 (10), 104305, 2019 | 6 | 2019 |
| Exploring DFT+ U parameter space with a Bayesian calibration assisted by Markov chain Monte Carlo sampling. npj Comput P Tavadze, R Boucher, G Avendaño-Franco, KX Kocan, S Singh, ... Mater 7, 182, 2021 | 5 | 2021 |
| Physical-chemical properties of (Znm)@C60 and (Znm)@C70 endohedral metallofullerenes (m = 1-5): A DFT approach MSV A. Bautista Hernández, Wilfredo Ibarra Hernandez, F. Severiano, E ... Surfaces and Interfaces 23, 101012, 2021 | 3 | 2021 |
| Anionic nickel and nitrogen effects in the chiral antiferromagnetic antiperovskite Mn 3 NiN E Triana-Ramírez, W Ibarra-Hernandez, AC Garcia-Castro Physical Chemistry Chemical Physics 25 (21), 14992-14999, 2023 | 2 | 2023 |
| Cun Clusters (n = 13, 43, and 55) as Possible Degradant Agents of mSF6 Molecules (m = 1, 2): A DFT Study SM Sintillo, A Bautista Hernandez, AA Pelaez Cid, W Ibarra Hernandez, ... ACS omega 7 (38), 34401-34411, 2022 | 1 | 2022 |
| Ab-initio study of thermoelectricity of layered tellurium compounds W Ibarra Hernández ULiège-Université de Liège, 2015 | 1 | 2015 |
Aldo Humberto RomeroWest Virginia UniversityVerified email at mail.wvu.edu
