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Research Interests
Research Interests
All my research involves molecular simulations, by means of both classical molecular dynamics and ab initio calculations. The main focus of my research today is on oil-brine-rocks interactions, studying from the electronic level, where surface adsorptions and reactions are explored, and also at an atomistic level, where fluid-fluid and fluid-rock interfaces are simulated. I have also research on cement, nanofluidics and electronic transport.
Natural Language Processing
High throughput calculations
Machine Learning
Water confinement
Oil-brine-rock interactions
Cement based materials
Nanofluidics
Electronic transport
Codes
Codes
My codes are available at my Github webpage: https://github.com/jamesmalmeida
Publications
Publications
Google Scholar link: https://scholar.google.com.br/citations?user=12cupvwAAAAJ&hl=en
Publications: 30
Citations: 344
H-index: 10
i10-index: 10
Revolutionizing ORR Catalyst Design through Computational Methodologies and Materials Informatics
Revolutionizing ORR Catalyst Design through Computational Methodologies and Materials Informatics
Lanna E. B. Lucchetti, James M. de Almeida and Samira Siahrostami
Experimental and theoretical studies of WO3/Vulcan XC-72 electrocatalyst enhanced H2O2 yield ORR performed in acid and alkaline medium
Experimental and theoretical studies of WO3/Vulcan XC-72 electrocatalyst enhanced H2O2 yield ORR performed in acid and alkaline medium
João Paulo C. Moura, Lanna E.B. Luchetti, Caio M. Fernandes, Aline B. Trench, Camila N. Lange, Bruno L. Batista, James M. Almeida, Mauro C. Santos
Journal of Environmental Chemical Engineering, 113182 (2024)
Cerium doped graphene-based materials towards oxygen reduction reaction catalysis
Cerium doped graphene-based materials towards oxygen reduction reaction catalysis
Lanna E.B. Lucchetti, Pedro A.S. Autreto, Mauro C. Santos, James M. de Almeida
Hydrogen peroxide electrogeneration from O2 electroreduction: A review focusing on carbon electrocatalysts and environmental applications
Hydrogen peroxide electrogeneration from O2 electroreduction: A review focusing on carbon electrocatalysts and environmental applications
Aline B Trench, Caio Machado Fernandes, João Paulo C Moura, Lanna EB Lucchetti, Thays S Lima, Vanessa S Antonin, James M de Almeida, Pedro Autreto, Irma Robles, Artur J Motheo, Marcos RV Lanza, Mauro C Santos
CO2 Reduction Beyond Copper-Based Catalysts: A Natural Language Processing Review From The Scientific Literature
CO2 Reduction Beyond Copper-Based Catalysts: A Natural Language Processing Review From The Scientific Literature
Lucas Bandeira, Henrique Ferreira dos Santos, James Moraes de Almeida, Amauri Jardim de Paula, Gustavo Martini Dalpian
Photostable Ferulic Acid-Loaded Nanoemulsion for Anti-inflammatory Skin Application
Photostable Ferulic Acid-Loaded Nanoemulsion for Anti-inflammatory Skin Application
Tielle M. de Almeida, James M. de Almeida, Kathiane B. Kudrna, Tatiana Emanuelli, Daiani C. Leite, Clarissa P. Frizzo, Alisson V. Paz, Scheila R. Schaffazick, and Cristiane de B. da Silva
Synergistic interaction of hyperbranched polyglycerols and cetyltrimethylammonium bromide for oil/water interfacial tension reduction: A Molecular dynamics study
Synergistic interaction of hyperbranched polyglycerols and cetyltrimethylammonium bromide for oil/water interfacial tension reduction: A Molecular dynamics study
James Moraes de Almeida, Conny Cerai Ferreira, Lucas Bandeira, Renato D. Cunha, Mauricio Domingues Coutinho-Neto, Paula Homem-De-Mello, Ednilsom Orestes, Regina Sandra Veiga Nascimento
Sodium niobate microcubes decorated with ceria nanorods for hydrogen peroxide electrogeneration: An experimental and theoretical study
Sodium niobate microcubes decorated with ceria nanorods for hydrogen peroxide electrogeneration: An experimental and theoretical study
Vanessa S Antonin, Lanna EB Lucchetti, Felipe M Souza, Victor S Pinheiro, João PC Moura, Aline B Trench, James M de Almeida, Pedro AS Autreto, Marcos RV Lanza, Mauro C Santos
Unravelling Catalytic Activity Trends in Ceria Surfaces toward Oxygen Reduction and Water Oxidation Reactions
Unravelling Catalytic Activity Trends in Ceria Surfaces toward Oxygen Reduction and Water Oxidation Reactions
Lanna E. B. Lucchetti, Pedro A. S. Autreto, James M. de Almeida, Mauro C. Santos, Samira Siahrostami
Naphthenic Acids Aggregation: The Role of Salinity
Naphthenic Acids Aggregation: The Role of Salinity
Renato D Cunha, Livia J Ferreira, Ednilsom Orestes, Mauricio D Coutinho-Neto, James M de Almeida, Rogério M Carvalho, Cleiton D Maciel, Carles Curutchet, Paula Homem-de-Mello
Harvesting of Surfactant-Solubilized Asphaltenes by Magnetic Nanoparticles
Harvesting of Surfactant-Solubilized Asphaltenes by Magnetic Nanoparticles
Gabriel FG Toledo, James M Almeida, Adrianne MM Brito, Carin CS Batista, Luana S Andrade, Daniele R de Araújo, Marcelo Y Icimoto, S Brochsztain, Iseli L Nantes
Hyperbranched polyglycerols derivatives as cetyltrimethylammonium bromide nanocarriers on enhanced oil recovery processes
Hyperbranched polyglycerols derivatives as cetyltrimethylammonium bromide nanocarriers on enhanced oil recovery processes
CC Ferreira, TBG da Silva, ADS Francisco, L Bandeira, RD Cunha, MD Coutinho-Neto, P Homem-de-Mello, JM de Almeida, E Orestes, RSV Nascimento
Mechanism for enhanced oil recovery from carbonate reservoirs by adding copper ions to seawater
Mechanism for enhanced oil recovery from carbonate reservoirs by adding copper ions to seawater
OD Bernardinelli, BF Zornio, LGTA Duarte, JM de Almeida, VALG Vilela, NB Palma-Filho, CY Aoki, EM Ruidiaz, LF Lamas, GB Soares, RV de Almeida, PB Miranda, CR Miranda, E Sabadini
Assessing the Oxygen Reduction Reaction by a 2-electron Mechanism on Ceria Surfaces
Assessing the Oxygen Reduction Reaction by a 2-electron Mechanism on Ceria Surfaces
LE Lucchetti, JM de Almeida, PA da Silva Autreto, MC dos Santos
Probing the dynamics of water over multiple pore scales in cement by atomistic simulations
Probing the dynamics of water over multiple pore scales in cement by atomistic simulations
SM Mutisya, JM de Almeida, CR Miranda
Electronic Structure of Water from Koopmans-Compliant Functionals
Electronic Structure of Water from Koopmans-Compliant Functionals
JM de Almeida, NL Nguyen, N Colonna, W Chen, CR Miranda, A Pasquarello, N Marzari
Journal of Chemical Theory and Computation, 17, 7 3923-3930 (2021)
Density Functional Theory Studies of Oxygen Reduction Reaction for Hydrogen Peroxide Generation on Graphene-Based Catalysts
Density Functional Theory Studies of Oxygen Reduction Reaction for Hydrogen Peroxide Generation on Graphene-Based Catalysts
LEB Lucchetti, MO Almeida, JM de Almeida, PAS Autreto, KM Honorio, MC Santos
Brine–Oil Interfacial Tension Modeling: Assessment of Machine Learning Techniques Combined with Molecular Dynamics
Brine–Oil Interfacial Tension Modeling: Assessment of Machine Learning Techniques Combined with Molecular Dynamics
A Kirch, YM Celaschi, JM de Almeida, CR Miranda
From Atoms to Pre-salt Reservoirs: Multiscale Simulations of the Low-Salinity Enhanced Oil Recovery Mechanisms
From Atoms to Pre-salt Reservoirs: Multiscale Simulations of the Low-Salinity Enhanced Oil Recovery Mechanisms
GD da Silva, EF Martins, MA Salvador, ADT Baptista, JM de Almeida, CR Miranda
Multiscale Coupling between Molecular Simulations and Reservoir Simulator: Geochemical Reactions for Low Salinity Water Injection in Carbonates
Multiscale Coupling between Molecular Simulations and Reservoir Simulator: Geochemical Reactions for Low Salinity Water Injection in Carbonates
ADT Baptista, MA Salvador, GD da Silva, EF Martins, JM de Almeida, CR Miranda
Uncovering the Mechanisms of Low-Salinity Water Injection EOR Processes: A Molecular Simulation Viewpoint
Uncovering the Mechanisms of Low-Salinity Water Injection EOR Processes: A Molecular Simulation Viewpoint
EF Martins, GD da Silva, MA Salvador, ADT Baptista, JM de Almeida, CR Miranda
Virtual Reality for Visualization of Enhanced Oil Recovery Processes at Nanoscale
Virtual Reality for Visualization of Enhanced Oil Recovery Processes at Nanoscale
JM de Almeida, CR Miranda
Multilevel Molecular Modeling Approach for a Rational Design of Ionic Current Sensors for Nanofluidics
Multilevel Molecular Modeling Approach for a Rational Design of Ionic Current Sensors for Nanofluidics
A Kirch, JM de Almeida, CR Miranda
Journal of chemical theory and computation 14 (6), 3113-3120 (2018)
Fresh Molecular Look at Calcite–Brine Nanoconfined Interfaces
Fresh Molecular Look at Calcite–Brine Nanoconfined Interfaces
A Kirch, SM Mutisya, VM Sánchez, JM de Almeida, CR Miranda
The Journal of Physical Chemistry C 122 (11), 6117-6127 (2018)
Molecular simulations of cement based materials: A comparison between first principles and classical force field calculations
Molecular simulations of cement based materials: A comparison between first principles and classical force field calculations
SM Mutisya, JM de Almeida, CR Miranda
Molecular Dynamics Simulations of Water Confined in Calcite Slit Pores: An NMR Spin Relaxation and Hydrogen Bond Analysis
Molecular Dynamics Simulations of Water Confined in Calcite Slit Pores: An NMR Spin Relaxation and Hydrogen Bond Analysis
SM Mutisya, A Kirch, JM de Almeida, VM Sánchez, CR Miranda
The Journal of Physical Chemistry C 121 (12), 6674-6684 (2017)
Improved oil recovery in nanopores: NanoIOR
Improved oil recovery in nanopores: NanoIOR
JM De Almeida, CR Miranda
Electronic transport in patterned graphene nanoroads
Electronic transport in patterned graphene nanoroads
JM de Almeida, AR Rocha, AK Singh, A Fazzio, AJR da Silva
Spin filtering and disorder-induced magnetoresistance in carbon nanotubes: Ab initio calculations
Spin filtering and disorder-induced magnetoresistance in carbon nanotubes: Ab initio calculations
JM de Almeida, AR Rocha, AJR da Silva, A Fazzio
AlN, GaN, AlxGa1-xN nanotubes and GaN/AlxGa1-xN nanotube heterojunctions
AlN, GaN, AlxGa1-xN nanotubes and GaN/AlxGa1-xN nanotube heterojunctions
JM de Almeida, T Kar, P Piquini
Educational projects
Educational projects
Teaching with virtual reality
Teaching with virtual reality
Virtual reality is a great new tool for gaming immersion. This technique can be applied in the learning process, where many different systems can be shown to the student, with a depth not attainable on flat screens. For example, the nature of chemical bonds can be shown, as the student can navigate through systems with metallic bonds, ionic bonds, and covalent bonds. In addition, the students can also experiment the atomic dynamics, either as an observer or with an active role, employing an interactive molecular dynamics simulation. The technology is not limited to atomic systems, as a variety of experiments and experiences can be performed in a completely immersed virtual reality environment.
Teaching Physics to blind students
Teaching Physics to blind students
This work aims to produce inexpensive didactic materials to teach physics for blind students. Two methodologies are being applied and studied, the first one is the production of tactile material, in which the student can learn from a regular slideshow class, with all the images and graphs adapted.
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