MechElastic: A Python library for analysis of mechanical and elastic properties of bulk and 2D materials S Singh, L Lang, V Dovale-Farelo, U Herath, P Tavadze, FX Coudert, ... Computer Physics Communications 267, 108068, 2021 | 105 | 2021 |
Vickers hardness prediction from machine learning methods V Dovale-Farelo, P Tavadze, L Lang, A Bautista-Hernandez, AH Romero Scientific Reports 12 (1), 22475, 2022 | 22 | 2022 |
Exploring the elastic and electronic properties of chromium molybdenum diboride alloys V Dovale-Farelo, P Tavadze, MJ Verstraete, A Bautista-Hernández, ... Journal of Alloys and Compounds 866, 158885, 2021 | 16 | 2021 |
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 | 14 | 2021 |
Structural, elastic, electronic and thermal properties of InAs: A study of functional density V Mendoza-Estrada, M Romero-Baños, V Dovale-Farelo, W López-Pérez, ... Revista Facultad de Ingeniería 26 (46), 81-91, 2017 | 14 | 2017 |
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 | 7 | 2021 |
MechElastic: A Python Library for Analysis of Mechanical and Elastic Properties S Singh, L Lang, V Dovale-Farelo, U Herath, P Tavadze, FX Coudert, ... APS March Meeting Abstracts 2021, M41. 006, 2021 | 1 | 2021 |
Dynamic exchange-correlation functional for bandgap optimization: reparametrization and machine learning VF Dovale Farelo | | 2024 |
The Hardness Calculator V Dovale-Farelo, P Tavadze, L Lang, A Bautista-Hernandez, A Romero | | 2022 |
The Hardness Calculator (Supplemental Information) V Dovale-Farelo, P Tavadze, L Lang, A Bautista-Hernandez, AH Romero | | 2022 |
Effect of alloying concentration on the mechanical properties of B2Cr1-xMox V Dovale-Farelo, P Tavadze, A Romero APS March Meeting Abstracts 2019, H16. 010, 2019 | | 2019 |
Estudio Ab initio de las propiedades estructurales, electrónicas y magnéticas del AlAs dopado con cobalto, níquel o carbono VFD Farelo Universidad del Norte, 2018 | | 2018 |
Ab Initio Study of Electronic and Magnetic Properties of Cobalt Doped AlAs V Dovale-Farelo, W López-Pérez, A GonzáLez-GarcíA, ... APS March Meeting Abstracts 2018, G60. 362, 2018 | | 2018 |
Propriedades estruturais, elásticas, eletrônicas e térmicas do InAs: Um estudo de densidade funcional V Mendoza-Estrada, M Romero-Baños, V Dovale-Farelo, W López-Pérez, ... Revista Facultad de Ingeniería 26 (46), 81-91, 2017 | | 2017 |
Ab Initio Study of Electronic and Magnetic Properties of Co-doped AlAs. V Dovale-Farelo, W Lopez-Perez, A Gonzalez-Garcia, ... Bulletin of the American Physical Society 62, 2017 | | 2017 |