| Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project JS Hummelshøj, DD Landis, J Voss, T Jiang, A Tekin, N Bork, M Dułak, ... The Journal of chemical physics 131 (1), 014101, 2009 | 75 | 2009 |
| Systematic investigation of a family of gradient-dependent functionals for solids P Haas, F Tran, P Blaha, LS Pedroza, AJR da Silva, MM Odashima, ... Physical Review B 81 (12), 125136, 2010 | 53 | 2010 |
| Water dissociation at the GaN (1010) surface: Structure, dynamics and surface acidity J Wang, LS Pedroza, A Poissier, MV Fernández-Serra The Journal of Physical Chemistry C 116 (27), 14382-14389, 2012 | 44 | 2012 |
| Gradient-dependent density functionals of the Perdew-Burke-Ernzerhof type for atoms, molecules, and solids LS Pedroza, AJR da Silva, K Capelle Physical Review B 79 (20), 201106, 2009 | 37 | 2009 |
| Local order of liquid water at metallic electrode surfaces LS Pedroza, A Poissier, MV Fernández-Serra The Journal of chemical physics 142 (3), 034706, 2015 | 34 | 2015 |
| Effect of Charges on the Interaction of a Water Molecule with the Fe2O3(0001) Surface FR Negreiros, LS Pedroza, GM Dalpian The Journal of Physical Chemistry C 120 (22), 11918-11925, 2016 | 18 | 2016 |
| Ab initio Monte Carlo simulations applied to a Si 5 cluster LS Pedroza, AJR da Silva Physical Review B 75 (24), 245331, 2007 | 12 | 2007 |
| Simple implementation of complex functionals: Scaled self-consistency MP Lima, LS Pedroza, AJR da Silva, A Fazzio, D Vieira, HJP Freire, ... The Journal of chemical physics 126 (14), 144107, 2007 | 12 | 2007 |
| Bias-dependent local structure of water molecules at a metallic interface LS Pedroza, P Brandimarte, AR Rocha, MV Fernández-Serra Chemical science 9 (1), 62-69, 2018 | 11 | 2018 |
| Surface Fe vacancy defects on haematite and their role in light-induced water splitting in artificial photosynthesis FR Negreiros, LS Pedroza, FL Souza, GM Dalpian Physical Chemistry Chemical Physics 19 (46), 31410-31417, 2017 | 7 | 2017 |
| Temperature and composition dependence of short-range order and entropy, and statistics of bond length: the semiconductor alloy (GaN) 1− x (ZnO) x J Liu, LS Pedroza, C Misch, MV Fernández-Serra, PB Allen Journal of Physics: Condensed Matter 26 (27), 274204, 2014 | 7 | 2014 |
| Humidity sensing effect in Bi 25 FeO 39 sillenite-like compound FEN Ramirez, EE Espinosa, LS Pedroza, JA Souza Journal of materials science 51 (24), 10982-10989, 2016 | 6 | 2016 |
| Interaction of Water with the Gypsum (010) Surface: Structure and Dynamics from Nonlinear Vibrational Spectroscopy and Ab Initio Molecular Dynamics JCC Santos, FR Negreiros, LS Pedroza, GM Dalpian, PB Miranda Journal of the American Chemical Society 140 (49), 17141-17152, 2018 | 4 | 2018 |
| Adiabatic intramolecular movements for water systems LS Pedroza, AJR da Silva The Journal of chemical physics 128 (10), 104311, 2008 | 2 | 2008 |
| Local order of liquid water at the electrochemical interface LS Pedroza, A Poissier, MV Fernández-Serra arXiv preprint arXiv:1403.6482, 2014 | 1 | 2014 |
| Método de Monte Carlo utilizando cálculos de energia total AB initio LS Pedroza Universidade de São Paulo, 2006 | 1 | 2006 |
| Polarizable Classical Force Field to Describe the Water/Metal Interfaces in QM/MM Simulations of Electrochemical Interfaces M Gomes-Filho, A Olimpio Pereira, L Pedroza, G Feliciano, ... Bulletin of the American Physical Society, 2021 | | 2021 |
| Machine learning dielectric constant of water in a large pressure-temperature range HOU RUI, Q YUHUI, D Pan Bulletin of the American Physical Society, 2021 | | 2021 |
| Neural Network Interatomic Potentials for Water A Torres, L Pedroza, A Rocha Bulletin of the American Physical Society 65, 2020 | | 2020 |
| Non-equilibrium efects at solvated interfaces under an applied external bias A Rocha, L Pedroza, P Mendonça, M Fernandez Serra APS March Meeting Abstracts 2019, K16. 001, 2019 | | 2019 |
