James Moraes de Almeida
Principal Investigator
Group
Group codes and repositories: github.com/James-Almeida-Group
Current members
Leonardo Bitencourt Vetritti
Postdoc · since 2026
Natural language processing for carbon quantum dots
Arthur da Silva Sousa Santos
PhD student · since 2024
Natural language processing applied to high-entropy oxides
Master's (co-supervised) completed in 2023
Carlos Eduardo Gonçalves Santos
PhD student · since 2025
Computational materials simulations for electrochemical catalysis and optimization via active machine learning
Undergraduate research completed in 2025
Duanny Silva Onório
PhD student · since 2025
Active learning for the development of new metallic nanoparticles, with applications in electrocatalysis
Maria Eduarda de Oliveira Crist
Master's student · since 2026
Dynamics and properties of confined aqueous solutions using machine-learning interatomic potentials
André de Araújo Caetano
Master's student (co-supervised) · since 2026
Modeling of nanocellulose emulsions
Main supervisor, Juliana Bernardes (LNNano/CNPEM)
Enzo Januzzi Xavier
Undergraduate researcher · since 2025
Copper and ruthenium nanoparticles for nitric oxide reduction
Alumni
Lanna Emilli Barbosa Lucchetti
PhD, co-supervised (2020–2022) · Postdoc (2022–2023) · UFABC
Theoretical analysis of the oxygen reduction reaction in carbon materials modified with metal oxides
Paula Jimena Fonseca Cala
Master's, co-supervised (2022–2023) · UFC
Prediction of the surface tension of hydrocarbons with regressors based on machine learning techniques
Lucas Bandeira
Master's, co-supervised (2021–2022) · UFABC
Natural language processing methods applied to CO2/CO reduction problems
Paulo Henrique A. dos Santos
Undergraduate research (2024–2025) · CNPEM
Natural language processing for extracting CO2 reduction reaction data
Pedro Henrique Sophia
Undergraduate research (2023–2024) · Ilum
Realistic molecular dipole prediction: an ab initio/machine learning approach
Eduardo Teixeira de Aguiar Veiga
Undergraduate research (2020–2022) · UFABC
Oil/brine interfaces studied with classical molecular dynamics
Ana Carolina Fonseca de Abreu
Undergraduate research (2020–2022) · UFABC
Molecular dynamics applied to fuels
Pedro Henrique Donassan de Macedo
Undergraduate research (2020–2021) · UFABC
Materials informatics applied to the oil industry
Pedro Victor Marcelino Jordao Motta
Undergraduate research (2019–2020) · UFABC
Mechanical properties of concentric hybrid carbon and boron nitride nanotubes
Juda Przemyslaw
Undergraduate research (2016) · EPFL
Multiscale simulation of cement mechanical properties
Samihr Valentim Hermes
Undergraduate research (2012–2013) · UFABC
Atomistic study of cement nanotubes