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Luana S. Pedroza
Luana S. Pedroza
Verified email at ufabc.edu.br
Title
Cited by
Cited by
Year
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
832009
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
572010
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
532012
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
472015
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
452009
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
222016
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
192018
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
142018
Ab initio Monte Carlo simulations applied to a Si 5 cluster
LS Pedroza, AJR da Silva
Physical Review B 75 (24), 245331, 2007
132007
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
132007
Humidity sensing effect in Bi25FeO39 sillenite-like compound
FEN Ramirez, EE Espinosa, LS Pedroza, JA Souza
Journal of materials science 51 (24), 10982-10989, 2016
112016
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
102017
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
82014
Using Neural Network Force Fields to Ascertain the Quality of Ab Initio Simulations of Liquid Water
A Torres, LS Pedroza, M Fernandez-Serra, AR Rocha
The Journal of Physical Chemistry B 125 (38), 10772-10778, 2021
32021
Local order of liquid water at the electrochemical interface
LS Pedroza, A Poissier, MV Fernández-Serra
arXiv preprint arXiv:1403.6482, 2014
22014
Adiabatic intramolecular movements for water systems
LS Pedroza, AJR da Silva
The Journal of chemical physics 128 (10), 104311, 2008
22008
Método de Monte Carlo utilizando cálculos de energia total AB initio
LS Pedroza
Universidade de São Paulo, 2006
12006
Computer Simulation: Biomolecules on Surfaces
FCDA Lima, LS Pedroza, RG Amorim, WL Scopel
Advances in Bioelectrochemistry Volume 1, 1-24, 2022
2022
The effects of different exchange and correlation functionals on Neural Networks for water
L Pedroza, A Torres, A Rocha
APS March Meeting Abstracts 2021, B22. 008, 2021
2021
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, ...
APS March Meeting Abstracts 2021, X19. 005, 2021
2021
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