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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 ParticlesJoão Paulo A de Mendonça, Felipe V Calderan, Tuanan C Lourenço, et al.

ACS Omega|February 16, 2026

Cut-SOAP: A Machine Learning Descriptor for Rapid Screening of Molecular Adsorption EnergeticsFelipe 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 NanoclustersRaquel C Bezerra, Felipe V Calderan, Priscilla Felício-Sousa, et al.

ACS Omega|January 26, 2026

Optimizing Molecular Descriptors for Reliable Adsorption Energy Prediction on Transition Metal NanoclustersLucas B Pena, Felipe V Calderan, Priscilla Felício-Sousa, et al.

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Showing results (1-10 of 4) with videos related to

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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 ParticlesJoão Paulo A de Mendonça, Felipe V Calderan, Tuanan C Lourenço, et al.

ACS Omega|February 16, 2026

Cut-SOAP: A Machine Learning Descriptor for Rapid Screening of Molecular Adsorption EnergeticsFelipe 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 NanoclustersRaquel C Bezerra, Felipe V Calderan, Priscilla Felício-Sousa, et al.

ACS Omega|January 26, 2026

Optimizing Molecular Descriptors for Reliable Adsorption Energy Prediction on Transition Metal NanoclustersLucas B Pena, Felipe V Calderan, Priscilla Felício-Sousa, et al.

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