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Journal of Chemical Information and Modeling
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May 3, 2021
Energy Decomposition to Access the Stability Changes Induced by CO Adsorption on Transition-Metal 13-Atom Clusters
Krys E A Batista, Marinalva D Soares, Marcos G Quiles, et al.
Journal of Chemical Information and Modeling
|
August 13, 2021
Systematic Investigation of Error Distribution in Machine Learning Algorithms Applied to the Quantum-Chemistry QM9 Data Set Using the Bias and Variance Decomposition
Luis Cesar de Azevedo, Gabriel A Pinheiro, Marcos G Quiles, et al.
The Journal of Physical Chemistry. A
|
November 11, 2020
Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset
Gabriel A Pinheiro, Johnatan Mucelini, Marinalva D Soares, et al.
Journal of Chemical Information and Modeling
|
October 27, 2022
Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of Finite-Size Particles
João Paulo A de Mendonça, Felipe V Calderan, Tuanan C Lourenço, et al.
Plos One
|
March 10, 2021
Topological indexes and community structure for urban mobility networks: Variations in a business day
Jéssica D Lamosa, Lívia R Tomás, Marcos G Quiles, et al.
Journal of Chemical Information and Modeling
|
February 12, 2024
The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling
Ronaldo C Prati, Bruno S M Rodrigues, Iberis Aragão, et al.
ACS Omega
|
February 16, 2026
Cut-SOAP: A Machine Learning Descriptor for Rapid Screening of Molecular Adsorption Energetics
Felipe V Calderan, Karla F Andriani, Priscilla Felício-Sousa, et al.
ACS Omega
|
September 29, 2025
Exploring the Adsorption Properties of Small Molecules on CeZr-Based Nanoclusters
Raquel C Bezerra, Felipe V Calderan, Priscilla Felício-Sousa, et al.
Nature Communications
|
August 14, 2020
Spatiotemporal data analysis with chronological networks
Leonardo N Ferreira, Didier A Vega-Oliveros, Moshé Cotacallapa, et al.
Journal of Chemical Information and Modeling
|
January 10, 2020
<i>Ab Initio</i> Investigation of CO<sub>2</sub> Adsorption on 13-Atom 4d Clusters
Krys E A Batista, Vivianne K Ocampo-Restrepo, Marinalva D Soares, et al.
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Search research articles
Search
Showing results (11-20 of 26) with videos related to
Sort By:
Page
of 3
Journal of Chemical Information and Modeling
|
May 3, 2021
Energy Decomposition to Access the Stability Changes Induced by CO Adsorption on Transition-Metal 13-Atom Clusters
Krys E A Batista, Marinalva D Soares, Marcos G Quiles, et al.
Journal of Chemical Information and Modeling
|
August 13, 2021
Systematic Investigation of Error Distribution in Machine Learning Algorithms Applied to the Quantum-Chemistry QM9 Data Set Using the Bias and Variance Decomposition
Luis Cesar de Azevedo, Gabriel A Pinheiro, Marcos G Quiles, et al.
The Journal of Physical Chemistry. A
|
November 11, 2020
Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset
Gabriel A Pinheiro, Johnatan Mucelini, Marinalva D Soares, et al.
Journal of Chemical Information and Modeling
|
October 27, 2022
Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of Finite-Size Particles
João Paulo A de Mendonça, Felipe V Calderan, Tuanan C Lourenço, et al.
Plos One
|
March 10, 2021
Topological indexes and community structure for urban mobility networks: Variations in a business day
Jéssica D Lamosa, Lívia R Tomás, Marcos G Quiles, et al.
Journal of Chemical Information and Modeling
|
February 12, 2024
The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling
Ronaldo C Prati, Bruno S M Rodrigues, Iberis Aragão, et al.
ACS Omega
|
February 16, 2026
Cut-SOAP: A Machine Learning Descriptor for Rapid Screening of Molecular Adsorption Energetics
Felipe V Calderan, Karla F Andriani, Priscilla Felício-Sousa, et al.
ACS Omega
|
September 29, 2025
Exploring the Adsorption Properties of Small Molecules on CeZr-Based Nanoclusters
Raquel C Bezerra, Felipe V Calderan, Priscilla Felício-Sousa, et al.
Nature Communications
|
August 14, 2020
Spatiotemporal data analysis with chronological networks
Leonardo N Ferreira, Didier A Vega-Oliveros, Moshé Cotacallapa, et al.
Journal of Chemical Information and Modeling
|
January 10, 2020
<i>Ab Initio</i> Investigation of CO<sub>2</sub> Adsorption on 13-Atom 4d Clusters
Krys E A Batista, Vivianne K Ocampo-Restrepo, Marinalva D Soares, et al.
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