Ongoing Supervisions
Projects
Dados Inteligentes para Desenhar Inibidores de Corrosão (DataCor)
PartnerFundação para a Ciência e a Tecnologia
Eco-friendly corrosion protective coatings based on smart nanotechnology platforms for a circular economy (COAT4LIFE)
PartnerEuropean Comission
Corrosion can lead to financial losses in addition to having a negative effect on public health and safety. This is why its control is imperative economically, environmentally as well as aesthetically. Adding to this field, the EU-funded COAT4LIFE project aims to develop eco-friendly multifunctional coatings that have the ability to detect and p...MXenes catalysts for the water gas shift reaction (ForTheShift)
PartnerFundação para a Ciência e a Tecnologia
The ForTheShift project aims to put in place a computational framework to analyze the potential of a new family of two-dimensional (2D) carbides, nitrides, and carbonitrides, with general formula Mn+1XnTx (M is an early transition metal, n=1-5, X is C and/or N, and T are surface terminations as oxo, hydroxy, and/or fluoro groups), the so-called ...Publications
First-principles and machine-learning approaches for interpreting and predicting the properties of MXenes
Gouveia, JD; Galvao, TLP; Nassar, KI; Gomes, JRB
2025, NPJ 2D MATERIALS AND APPLICATIONS, 9, 1.
>
Predicting Adsorption Energies on MXene Surfaces Using Machine Learning to Enhance Catalyst Design for the Water-Gas Shift Reaction
Nassar, KI; Galvao, TLP; Gouveia, JD; Gomes, JRB
2025, JOURNAL OF PHYSICAL CHEMISTRY C, 129, 5, 2512-2524.
>
DATACORTECH: artificial intelligence platform for the virtual screen of aluminum corrosion inhibitors
Galvao, TLP; Ferreira, I; Maia, F; Gomes, JRB; Tedim, J
2024, NPJ MATERIALS DEGRADATION, 8, 1.
ISBN:
2397-2106
>
Multiscale Computational Approaches toward the Understanding of Materials
Bordonhos, M; Galvao, TLP; Gomes, JRB; Gouveia, JD; Jorge, M; Lourenço, MAO; Pereira, JM; Pérez-Sánchez, G; Pinto, ML; Silva, CM; Tedim, J; Zêzere, B
2023, ADVANCED THEORY AND SIMULATIONS, 6, 10.
>
CORDATA: an open data management web application to select corrosion inhibitors
Galvao, TLP; Ferreira, I; Kuznetsova, A; Novell-Leruth, G; Song, C; Feiler, C; Lamaka, SV; Rocha, C; Maia, F; Zheludkevich, ML; Gomes, JRB; Tedim, J
2022, NPJ MATERIALS DEGRADATION, 6, 1.
>
Layered double hydroxides for corrosion-related applications-Main developments from 20 years of research at CICECO
Tedim, J; Galvao, TLP; Yasakau, KA; Bastos, A; Gomes, JRB; Ferreira, MGS
2022, FRONTIERS IN CHEMISTRY, 10.
>
Molecular Dynamics Model to Explore the Initial Stages of Anion Exchange involving Layered Double Hydroxide Particles
Leruth, GN; Kuznetsova, A; Tedim, J; Gomes, JRB; Galvao, TLP
2022, NANOMATERIALS, 12, 22.
>
Elucidating Structure-Property Relationships in Aluminum Alloy Corrosion Inhibitors by Machine Learning
Galvao, TLP; Novell-Leruth, G; Kuznetsova, A; Tedim, J; Gomes, JRB
2020, JOURNAL OF PHYSICAL CHEMISTRY C, 124, 10, 5624-5635.
ISBN:
1932-7455
>
Hexacyanoferrate-Intercalated Layered Double Hydroxides as Nanoadditives for the Detection of Early-Stage Corrosion of Steel: The Revival of Prussian blue
Wilhelm, M; Quevedo, MC; Sushkova, A; Galvao, TLP; Bastos, A; Ferreira, M; Tedim, J
2020, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2020, 21, 2063-2073.
ISBN:
1099-0682
>
A molecular dynamics framework to explore the structure and dynamics of layered double hydroxides
Perez-Sanchez, G; Galvao, TLP; Tedim, J; Gomes, JRB
2018, APPLIED CLAY SCIENCE, 163, 164-177.
>




