Juarez L F Da Silva

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 50

Top Venues

Journal of chemical information and modeling

Physical chemistry chemical physics : PCCP

ACS applied materials & interfaces

The Journal of chemical physics

Universidade de São Paulo Instituto de Química de São Carlos

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universidade de São Paulo Instituto de Química de São Carlos May 18 2012

Brazil

Faculty Member :: Department of Physical Chemistry

Publications

Guilherme K Inui, Rafael Besse, José E González, Juarez L F Da Silva
Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskites. Physical chemistry chemical physics : PCCP 26 (23) (2024)
Ronaldo C Prati, Bruno S M Rodrigues, Iberis Aragão, Thereza A Soares, Marcos Gonçalves Quiles, Juarez L F Da Silva
The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling. Journal of chemical information and modeling 64 (4) (2024)
José E González, João G Danelon, Juarez L F Da Silva, Matheus P Lima
Elucidating Black α-CsPbI 3 Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations. ACS applied materials & interfaces 16 (30) (2024)
Guilherme K Inui, Rafael Besse, José E González, Juarez L F Da Silva
Atomic-scale insights in the interplay of chemical composition and chirality in two-dimensional chiral perovskites. Physical chemistry chemical physics : PCCP (2024)
João G Danelon, Ramiro M Santos, Alexandre Cavalheiro Dias, Juarez L F Da Silva, Matheus P Lima
Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX 3 and 2D (BA) 2 (MA)B 2 X 7 (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites. Physical chemistry chemical physics : PCCP 26 (10) (2024)
José E González, Rafael Besse, Matheus P Lima, Juarez L F Da Silva
Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights. Journal of chemical information and modeling 64 (4) (2024)
Mylena N Santos, Tuanan C Lourenço, Mauricio Mocelim, Juarez L F Da Silva
Theoretical study of the structural and energetic properties of Ce 1- x Zr x O 2 nanoparticles via molecular dynamics simulations. Physical chemistry chemical physics : PCCP 26 (25) (2024)
Mylena N Santos, Tuanan C Lourenço, Mauricio Mocelim, Juarez L F Da Silva
Theoretical study of the structural and energetic properties of Ce 1- x Zr x O 2 nanoparticles via molecular dynamics simulations. Physical chemistry chemical physics : PCCP (2024)
José E González, João G Danelon, Juarez L F Da Silva, Matheus P Lima
Elucidating Black α-CsPbI 3 Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations. ACS applied materials & interfaces 16 (30) (2024)
Ronaldo C Prati, Bruno S M Rodrigues, Iberis Aragão, Thereza A Soares, Marcos Gonçalves Quiles, Juarez L F Da Silva
The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling. Journal of chemical information and modeling 64 (4) (2024)
Tiago M Souza, Lucas B Pena, Juarez L F Da Silva, Breno R L Galvão
Data-driven stabilization of Ni m Pd n - m nanoalloys: a study using density functional theory and data mining approaches. Physical chemistry chemical physics : PCCP 26 (22) (2024)
José E González, Rafael Besse, Matheus P Lima, Juarez L F Da Silva
Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights. Journal of chemical information and modeling 64 (4) (2024)
Mateus B P Querne, Alexandre Cavalheiro Dias, Anderson Janotti, Juarez L F Da Silva, Matheus P Lima
Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (29) (2024)
José E González, João G Danelon, Juarez L F Da Silva, Matheus P Lima
Elucidating Black α-CsPbI 3 Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations. ACS applied materials & interfaces (2024)
Tiago M Souza, Lucas B Pena, Juarez L F Da Silva, Breno R L Galvão
Data-driven stabilization of Ni m Pd n - m nanoalloys: a study using density functional theory and data mining approaches. Physical chemistry chemical physics : PCCP (2024)
José E González, Rafael Besse, Matheus P Lima, Juarez L F Da Silva
Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights. Journal of chemical information and modeling 64 (4) (2024)
Ronaldo C Prati, Bruno S M Rodrigues, Iberis Aragão, Thereza A Soares, Marcos Gonçalves Quiles, Juarez L F Da Silva
The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling. Journal of chemical information and modeling (2024)
Mateus B P Querne, Alexandre Cavalheiro Dias, Anderson Janotti, Juarez L F Da Silva, Matheus P Lima
Tuning Excitonic Properties of Monochalcogenides via Design of Janus Structures. The journal of physical chemistry. C, Nanomaterials and interfaces 128 (29) (2024)
José E González, Rafael Besse, Matheus P Lima, Juarez L F Da Silva
Decoding Van der Waals Impact on Chirality Transfer in Perovskite Structures: Density Functional Theory Insights. Journal of chemical information and modeling (2024)
José E González, João G Danelon, Juarez L F Da Silva, Matheus P Lima
Elucidating Black α-CsPbI 3 Perovskite Stabilization via PPD Bication-Conjugated Molecule Surface Passivation: Ab Initio Simulations. ACS applied materials & interfaces 16 (30) (2024)
João G Danelon, Ramiro M Santos, Alexandre Cavalheiro Dias, Juarez L F Da Silva, Matheus P Lima
Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX 3 and 2D (BA) 2 (MA)B 2 X 7 (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites. Physical chemistry chemical physics : PCCP (2024)
Ronaldo C Prati, Bruno S M Rodrigues, Iberis Aragão, Thereza A Soares, Marcos Gonçalves Quiles, Juarez L F Da Silva
The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling. Journal of chemical information and modeling 64 (4) (2024)
Marionir M C B Neto, Lucas G Verga, Juarez L F Da Silva, Breno R L Galvão
The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces. Physical chemistry chemical physics : PCCP 25 (6) (2023)
Vivianne K Ocampo-Restrepo, Lucas G Verga, Juarez L F Da Silva
Ab initio study for late steps of CO 2 and CO electroreduction: from CHCO* toward C 2 products on Cu and CuZn nanoclusters. Physical chemistry chemical physics : PCCP (2023)
Marionir M C B Neto, Lucas G Verga, Juarez L F Da Silva, Breno R L Galvão
The role of single-atom Rh-dopants in the adsorption properties of OH and CO on stepped Ag(211) surfaces. Physical chemistry chemical physics : PCCP (2023)
Lucas Scalon, Rodrigo Szostak, Francineide L Araújo, Karla F Adriani, Julian F R V Silveira, Willian X C Oliveira, Juarez L F Da Silva, Caio Costa Oliveira, Ana Flavia Nogueira
Improving the Stability and Efficiency of Perovskite Solar Cells by a Bidentate Anilinium Salt. JACS Au 2 (6) (2022)
Guilherme K Inui, Julian F R V Silveira, Alexandre Cavalheiro Dias, Rafael Besse, Juarez L F Da Silva
Ab initio screening of two-dimensional Cu Q x and Ag Q x chalcogenides. Journal of physics. Condensed matter : an Institute of Physics journal 34 (30) (2022)
João Paulo A de Mendonça, Felipe V Calderan, Tuanan C Lourenço, Marcos Gonçalves Quiles, Juarez L F Da Silva
Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of Finite-Size Particles. Journal of chemical information and modeling 62 (22) (2022)
Eduardo O Bartaquim, Raquel C Bezerra, Albert F B Bittencourt, Juarez L F Da Silva
Computational investigation of van der Waals corrections in the adsorption properties of molecules on the Cu(111) surface. Physical chemistry chemical physics : PCCP 24 (34) (2022)
Gabriel A Pinheiro, Juarez L F Da Silva, Marcos Gonçalves Quiles
SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning. Journal of chemical information and modeling 62 (17) (2022)
Alex S Moraes, Gabriel A Pinheiro, Tuanan C Lourenço, Mauro C Lopes, Marcos Gonçalves Quiles, Luis Gustavo Dias, Juarez L F Da Silva
Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining. Journal of chemical information and modeling 62 (19) (2022)
Rafael Besse, Han Wang, Damien West, Juarez L F Da Silva, Shengbai Zhang
Prediction of Effective Photoelectron and Hole Separation in Type-I MoS 2 /PtSe 2 van der Waals Junction. The journal of physical chemistry letters 13 (28) (2022)
André F Oliveira, Juarez L F Da Silva, Marcos Gonçalves Quiles
Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder. Journal of chemical information and modeling 62 (4) (2022)
Luis Cesar de Azevedo, Gabriel A Pinheiro, Marcos Gonçalves Quiles, Juarez L F Da Silva, Ronaldo C Prati
Systematic Investigation of Error Distribution in Machine Learning Algorithms Applied to the Quantum-Chemistry QM9 Data Set Using the Bias and Variance Decomposition. Journal of chemical information and modeling 61 (9) (2021)
Henrique A B Fonseca, Lucas G Verga, Juarez L F Da Silva
Ab Initio Study of CO2 Activation on Pristine and Fe-Decorated WS2 Nanoflakes. The journal of physical chemistry. A 125 (36) (2021)
Johnatan Mucelini, Marcos Gonçalves Quiles, Ronaldo C Prati, Juarez L F Da Silva
Correlation-Based Framework for Extraction of Insights from Quantum Chemistry Databases: Applications for Nanoclusters. Journal of chemical information and modeling 61 (3) (2021)
Felipe Orlando Morais, Karla F Andriani, Juarez L F Da Silva
Investigation of the Stability Mechanisms of Eight-Atom Binary Metal Clusters Using DFT Calculations and k-means Clustering Algorithm. Journal of chemical information and modeling 61 (7) (2021)
Krys E A Batista, Marinalva D Soares, Marcos Gonçalves Quiles, Maurício J Piotrowski, Juarez L F Da Silva
Energy Decomposition to Access the Stability Changes Induced by CO Adsorption on Transition-Metal 13-Atom Clusters. Journal of chemical information and modeling 61 (5) (2021)
Luis Paulo M Freitas, Anderson A Espírito Santo, Tuanan C Lourenço, Juarez L F Da Silva, Gustavo Troiano Feliciano
Steric and Electrostatic Effects on the Diffusion of CH4/CH3OH in Copper-Exchanged Zeolites: Insights from Enhanced Sampling Molecular Dynamics and Free Energy Calculations. Langmuir : the ACS journal of surfaces and colloids 37 (26) (2021)
Tuanan C Lourenço, Mahsa Ebadi, Daniel Brandell, Juarez L F Da Silva, Luciano T Costa
Correction to "Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study". The journal of physical chemistry. B 125 (40) (2021)
Gabriel A Pinheiro, Johnatan Mucelini, Marinalva D Soares, Ronaldo C Prati, Juarez L F Da Silva, Marcos Gonçalves Quiles
Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset. The journal of physical chemistry. A 124 (47) (2020)
Tuanan C Lourenço, Mahsa Ebadi, Daniel Brandell, Juarez L F Da Silva, Luciano T Costa
Interfacial Structures in Ionic Liquid-Based Ternary Electrolytes for Lithium-Metal Batteries: A Molecular Dynamics Study. The journal of physical chemistry. B 124 (43) (2020)
Krys E A Batista, Vivianne K Ocampo-Restrepo, Marinalva D Soares, Marcos G Quiles, Maurício Jeomar Piotrowski, Juarez L F Da Silva
Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters. Journal of chemical information and modeling 60 (2) (2020)
Max Schütz, Maximilian Muhr, Kerstin Freitag, Christian Gemel, Samia Kahlal, Jean-Yves Saillard, Augusto C H Da Silva, Juarez L F Da Silva, Thomas F Fässler, Roland A Fischer
Contrasting Structure and Bonding of a Copper-Rich and a Zinc-Rich Intermetalloid Cu/Zn Cluster. Inorganic chemistry 59 (13) (2020)
Diego Guedes-Sobrinho, Weiqi Wang, Ian P Hamilton, Juarez L F Da Silva, Luca M Ghiringhelli
(Meta-)stability and Core-Shell Dynamics of Gold Nanoclusters at Finite Temperature. The journal of physical chemistry letters 10 (3) (2019)
Henrique Musseli Cezar, Gustavo G Rondina, Juarez L F Da Silva
Thermodynamic properties of 55-atom Pt-based nanoalloys: Phase changes and structural effects on the electronic properties. The Journal of chemical physics 151 (20) (2019)
Johnatan Mucelini, Rafael Costa-Amaral, Yohanna Seminovski, Juarez L F Da Silva
Ab initio investigation of the formation of ZrO2-like structures upon the adsorption of Zr n on the CeO2(111) surface. The Journal of chemical physics 149 (24) (2019)
Vivianne K Ocampo-Restrepo, Larissa Zibordi-Besse, Juarez L F Da Silva
Ab initio investigation of the atomistic descriptors in the activation of small molecules on 3d transition-metal 13-atom clusters: The example of H2, CO, H2O, and CO2. The Journal of chemical physics 151 (21) (2019)
Diego Guedes-Sobrinho, Anderson S Chaves, Maurício Jeomar Piotrowski, Juarez L F Da Silva
Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters. The Journal of chemical physics 146 (16) (2018)
Luis Cabral, Fermin H Aragón, Leonardo Villegas-Lelovsky, Matheus P Lima, Waldemar A A Macedo, Juarez L F Da Silva
Tuning the Magnetic Properties of FeCo Thin Films through the Magnetoelastic Effect Induced by the Au Underlayer Thickness. ACS applied materials & interfaces 11 (1) (2018)

Juarez L F Da Silva.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Juarez L F Da Silva