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Luana S. Pedroza
Luana S. Pedroza
IF - USP
Verified email at usp.br
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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), 2009
842009
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—Condensed Matter and Materials Physics 79 (20), 201106, 2009
722009
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
642012
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—Condensed Matter and Materials Physics 81 (12), 125136, 2010
602010
Local order of liquid water at metallic electrode surfaces
LS Pedroza, A Poissier, MV Fernández-Serra
The Journal of chemical physics 142 (3), 2015
522015
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
312018
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
252018
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
242016
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
192021
Humidity sensing effect in Bi25FeO39 sillenite-like compound
FEN Ramirez, EE Espinosa, LS Pedroza, JA Souza
Journal of materials science 51, 10982-10989, 2016
142016
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
132017
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), 2007
132007
Ab initio Monte Carlo simulations applied to a cluster
LS Pedroza, AJR da Silva
Physical Review B—Condensed Matter and Materials Physics 75 (24), 245331, 2007
122007
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
72014
Adiabatic intramolecular movements for water systems
LS Pedroza, AJR da Silva
The Journal of chemical physics 128 (10), 2008
42008
Size and quality of quantum mechanical data set for training neural network force fields for liquid water
MS Gomes-Filho, A Torres, A Reily Rocha, LS Pedroza
The Journal of Physical Chemistry B 127 (6), 1422-1428, 2023
32023
Local order of liquid water at the electrochemical interface
LS Pedroza, A Poissier, MV Fernández-Serra
arXiv preprint arXiv:1403.6482, 2014
22014
Desenvolvimento de novas aproximações para simulações ab initio
LS Pedroza
USP, 2010
22010
Water/mineral interfaces: Structure and Dynamics from Nonlinear Vibrational Spectroscopy and Ab Initio Molecular Dynamics
L Pedroza, F Negreiros, G Dalpian, J de Carvalho Santos, P Miranda
APS March Meeting Abstracts 2019, P16. 002, 2019
12019
Método de Monte Carlo utilizando cálculos de energia total AB initio
LS Pedroza
Universidade de São Paulo, 2006
12006
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Articles 1–20