James Moraes de Almeida

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Caetano R MirandaUniversidade de São PauloVerified email at if.usp.br
Alexsandro KirchUniversidade de São PauloVerified email at if.usp.br
Adalberto FazzioDirector, Brazilian Nanotechnology National Laboratory (LNNano/CNPEM)Verified email at lnnano.cnpem.br
Sylvia MutisyaSUBATECH (IMT Atlantique, Université de Nantes, CNRS/IN2P3)Verified email at subatech.in2p3.fr
Alexandre Reily RochaProfessor, Instituto de Física Teórica, UNESPVerified email at unesp.br
Antonio Jose Roque da SilvaInstituto de Física - Universidade de São PauloVerified email at if.usp.br
Pedro Alves da Silva AutretoNatural and Human Center (CCNH), Federal University of ABC (UFABC)Verified email at ufabc.edu.br
Tapas KarUtah State UniversityVerified email at usu.edu
PAULO CESAR PIQUINIUniversidade Federal de Santa MariaVerified email at ufsm.br
Renato Dias da CunhaUniversity of BarcelonaVerified email at ub.edu
Mauricio D. Coutinho-NetoUniversidade Federal do ABCVerified email at ufabc.edu.br
Paula Homem-de-MelloCentro de Ciências Naturais e Humanas (CCNH), Universidade Federal do ABC (UFABC)Verified email at ufabc.edu.br
Alvaro David Torrez BaptistaPostdoctoral researcher - Institute of Physics - University of São PauloVerified email at usp.br
Michele Aparecida SalvadorPost DoctorateVerified email at usp.br
Gabriela Dias da SilvaUniversidade Estadual PaulistaVerified email at unesp.br
Ernane de Freitas MartinsPostdoctoral researcher - Catalan Institute of Nanoscience and NanotechnologyVerified email at icn2.cat
Lucas BandeiraMaster's Student at UFABCVerified email at aluno.ufabc.edu.br
Nicola MarzariÉcole Polytechnique Fédérale de Lausanne (EPFL), and Paul Scherrer Institut (PSI)Verified email at epfl.ch
Ngoc Linh NguyenFaculty of MSE, Phenikaa Institute for Advanced Study, Phenikaa University, Hanoi, VietnamVerified email at phenikaa-uni.edu.vn
Nicola ColonnaSenior Scientist, Laboratory for Materials Simulations, PSIVerified email at psi.ch

James Moraes de Almeida

Professor, Ilum Escola de Ciência - CNPEM

Verified email at ilum.cnpem.br - Homepage

Classical Molecular Dynamics Ab Initio Simulations Machine Learning Natural Language Processing


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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 Sanchez, CR Miranda The Journal of Physical Chemistry C 121 (12), 6674-6684, 2017	47	2017
Molecular simulations of cement based materials: A comparison between first principles and classical force field calculations SM Mutisya, JM de Almeida, CR Miranda Computational Materials Science 138, 392-402, 2017	41	2017
Improved oil recovery in nanopores: NanoIOR JM de Almeida, CR Miranda Scientific reports 6 (1), 28128, 2016	40	2016
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	29	2018
Brine–Oil Interfacial Tension Modeling: Assessment of Machine Learning Techniques Combined with Molecular Dynamics A Kirch, YM Celaschi, JM de Almeida, CR Miranda ACS Applied Materials & Interfaces 12 (13), 15837-15843, 2020	23	2020
AlN, GaN, AlxGa1− xN nanotubes and GaN/AlxGa1− xN nanotube heterojunctions JM de Almeida, T Kar, P Piquini Physics Letters A 374 (6), 877-881, 2010	23	2010
Spin filtering and disorder-induced magnetoresistance in carbon nanotubes: Ab initio calculations JM De Almeida, AR Rocha, AJR da Silva, A Fazzio Physical Review B 84 (8), 085412, 2011	17	2011
Electronic transport in patterned graphene nanoroads JM de Almeida, AR Rocha, AK Singh, A Fazzio, AJR da Silva Nanotechnology 24 (49), 495201, 2013	12	2013
Probing the dynamics of water over multiple pore scales in cement by atomistic simulations SM Mutisya, JMD Almeida, CR Miranda Applied Surface Science 565, 150426, 2021	10	2021
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, ... Fuel 305, 121605, 2021	8	2021
Assessing the Oxygen Reduction Reaction by a 2-electron Mechanism on Ceria Surfaces L Lucchetti, J Almeida, PA da Silva Autreto, MC dos Santos Physical Chemistry Chemical Physics 23, 18580-18587, 2021	8	2021
Electronic Structure of Water from Koopmans-Compliant Functionals JM de Almeida, NL Nguyen, N Colonna, W Chen, CR Miranda, ... Journal of Chemical Theory and Computation 17 (7), 3923-3930, 2021	8	2021
Naphthenic Acids Aggregation: The Role of Salinity RD Cunha, LJ Ferreira, E Orestes, MD Coutinho-Neto, JM de Almeida, ... Computation 10 (10), 170, 2022	6	2022
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	6	2018
Sodium niobate microcubes decorated with ceria nanorods for hydrogen peroxide electrogeneration: An experimental and theoretical study VS Antonin, LEB Lucchetti, FM Souza, VS Pinheiro, JPC Moura, ... Journal of Alloys and Compounds 965, 171363, 2023	5	2023
Hyperbranched polyglycerols derivatives as cetyltrimethylammonium bromide nanocarriers on enhanced oil recovery processes CC Ferreira, TBG da Silva, ADS Francisco, L Bandeira, RD Cunha, ... Journal of Applied Polymer Science 139 (9), 51725, 2022	5	2022
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, ... Journal of Electroanalytical Chemistry 895, 115429, 2021	5	2021
AlN, GaN, AlxGa1− xN nanotubes and GaN/AlxGa1− xN nanotubes heterojunctions JM Almeida, T Kar, P Piquini Physics Letters A 374, 877, 2010	5	2010
Confinement and hydrophilicity effects on geologically relevant fluids in silica nanopores JM de Almeida, CR Miranda Physical Review Fluids 5, 083801, 2020	3	2020
From Atoms to Pre-Salt Reservoirs: Multiscale Simulations of the Low-Salinity Enhanced Oil Recovery Mechanisms GD da Silva, E de Freitas Martins, MA Salvador, ADT Baptista, ... Polytechnica 2, 30-50, 2019	3	2019

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