| Comparative study of van der Waals corrections to the bulk properties of graphite CRC Rêgo, LN Oliveira, P Tereshchuk, JLF Da Silva Journal of Physics: Condensed Matter 27 (41), 415502, 2015 | 75 | 2015 |
| Graphene-supported small transition-metal clusters: A density functional theory investigation within van der Waals corrections CRC Rêgo, P Tereshchuk, LN Oliveira, JLF Da Silva Physical Review B 95 (23), 235422, 2017 | 54 | 2017 |
| Multifractality of Brazilian rivers CRC Rego, HO Frota, MS Gusmão Journal of hydrology 495, 208-215, 2013 | 42 | 2013 |
| Workflow Engineering in Materials Design within the BATTERY 2030+ Project J Schaarschmidt, J Yuan, T Strunk, I Kondov, SP Huber, G Pizzi, L Kahle, ... Advanced Energy Materials 12 (17), 2102638, 2022 | 32 | 2022 |
| Bulk Rashba effect splitting and suppression in polymorphs of metal iodine perovskites L Octavio de Araujo, FP Sabino, CRC Rego, D Guedes-Sobrinho The Journal of Physical Chemistry Letters 12 (30), 7245-7251, 2021 | 11 | 2021 |
| Automated virtual design of organic semiconductors based on metal-organic frameworks M Mostaghimi, CRC Rêgo, R Haldar, C Wöll, W Wenzel, M Kozlowska Frontiers in Materials 9, 840644, 2022 | 8 | 2022 |
| SimStack: an intuitive workflow framework CRC Rêgo, J Schaarschmidt, T Schlöder, M Penaloza-Amion, S Bag, ... Frontiers in Materials 9, 877597, 2022 | 7 | 2022 |
| Impact of the polymorphism and relativistic effects on the electronic properties of inorganic metal halide perovskites L Octavio de Araujo, CRC Rêgo, W Wenzel, FP Sabino, ... The Journal of Physical Chemistry C 126 (4), 2131-2140, 2022 | 5 | 2022 |
| Multifractalidade dos rios brasileiros CRC Rêgo Universidade Federal do Amazonas, 2012 | 3 | 2012 |
| dft-vasp: Dft-vasp CR Rêgo, C Kit-workflows | 3 | |
| How cation nature controls the bandgap and bulk Rashba splitting of halide perovskites LO de Araujo, CRC Rêgo, W Wenzel, DN Silveira, MJ Piotrowski, ... Journal of Computational Chemistry 44 (14), 1395-1403, 2023 | 2 | 2023 |
| Molecular adsorption on coinage metal subnanoclusters: A DFT+ D3 investigation JPCS Felix, KEA Batista, WO Morais, GR Nagurniak, RP Orenha, ... Journal of Computational Chemistry 44 (10), 1040-1051, 2023 | 2 | 2023 |
| Local Electronic Charge Transfer in the Helical Induction of Cis-Transoid Poly(4-carboxyphenyl)acetylene by Chiral Amines M Penaloza-Amion, CR C. Rêgo, W Wenzel Journal of Chemical Information and Modeling 62 (3), 544-552, 2022 | 2 | 2022 |
| An active learning approach to model solid-electrolyte interphase formation in Li-ion batteries M Soleymanibrojeni, CRC Rego, M Esmaeilpour, W Wenzel Journal of Materials Chemistry A 12 (4), 2249-2266, 2024 | 1 | 2024 |
| Unveiling oxygen vacancy impact on lizardite thermo and mechanical properties H Pecinatto, CRC Rêgo, W Wenzel, CA Frota, BMS Perrone, ... Scientific Reports 13 (1), 17157, 2023 | 1 | 2023 |
| Revealing the impact of organic spacers and cavity cations on quasi-2D perovskites via computational simulations D Guedes-Sobrinho, D Neves Silveira, LO de Araujo, ... Scientific Reports 13 (1), 4446, 2023 | 1 | 2023 |
| Ab-initio studies of adsorbate-surface interactions CRC Rêgo Universidade de São Paulo, 2017 | 1 | 2017 |
| Thermodynamic Modeling and Electronic Properties of CsPb1− xSnxI3 as a Polymorphic Alloy LO de Araujo, CRC Rêgo, W Wenzel, CM de Oliveira Bastos, ... Journal of Alloys and Compounds, 174485, 2024 | | 2024 |
| Promising TMDC-like optical and excitonic properties of the TiBr 2 2H monolayer ALO Batista, JMT Palheta, MJ Piotrowski, CRC Rêgo, D Guedes-Sobrinho, ... Dalton Transactions 53 (2), 746-752, 2024 | | 2024 |
| Sticking coefficient for atoms incident upon metals within the exact factorization approach CR Rêgo, R Requist, L Oliveira, EK Gross APS March Meeting Abstracts 2019, H20. 006, 2019 | | 2019 |
