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Henrique Musseli Cezar
Henrique Musseli Cezar
Researcher at the University of Oslo
Bestätigte E-Mail-Adresse bei kjemi.uio.no - Startseite
Titel
Zitiert von
Zitiert von
Jahr
DICE: A Monte Carlo code for molecular simulation including Configurational Bias Monte Carlo method
HM Cezar, S Canuto, K Coutinho
Journal of Chemical Information and Modeling 60 (7), 3472-3488, 2020
602020
Solvent effect on the syn/anti conformational stability: A comparison between conformational bias Monte Carlo and molecular dynamics methods
HM Cezar, S Canuto, K Coutinho
International Journal of Quantum Chemistry 119 (1), e25688, 2019
272019
A basin-hopping Monte Carlo investigation of the structural and energetic properties of 55-and 561-atom bimetallic nanoclusters: the examples of the ZrCu, ZrAl, and CuAl systems
DG De Souza, HM Cezar, GG Rondina, MF de Oliveira, JLF Da Silva
Journal of Physics: Condensed Matter 28 (17), 175302, 2016
182016
Parallel tempering Monte Carlo combined with clustering Euclidean metric analysis to study the thermodynamic stability of Lennard-Jones nanoclusters
HM Cezar, GG Rondina, JLF Da Silva
The Journal of Chemical Physics 146 (6), 2017
172017
A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution
MH Cardenuto, HM Cezar, KV Mikkelsen, SPA Sauer, K Coutinho, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 251, 119434, 2021
152021
Understanding the absorption spectrum of mesityl oxide dye in solvents of different polarities
HM Cezar, S Canuto, K Coutinho
Journal of Molecular Liquids 307, 112924, 2020
132020
Thermodynamic properties of 55-atom Pt-based nanoalloys: Phase changes and structural effects on the electronic properties
HM Cezar, GG Rondina, JLF Da Silva
The Journal of Chemical Physics 151 (20), 2019
122019
DICE: A Monte Carlo program for molecular liquid simulation
HM Cezar, S Canuto, K Coutinho
University of São Paulo, São Paulo 3, 2018
122018
Revisiting greenhouse gases adsorption in carbon nanostructures: advances through a combined first-principles and molecular simulation approach
HM Cezar, TD Lanna, DA Damasceno, A Kirch, CR Miranda
Applied Surface Science 671, 160659, 2024
42024
Learning force field parameters from differentiable particle-field molecular dynamics
M Carrer, HM Cezar, SL Bore, M Ledum, M Cascella
Journal of Chemical Information and Modeling 64 (14), 5510-5520, 2024
42024
Unraveling the acid–base characterization and solvent effects on the structural and electronic properties of a bis-bidentate bridging ligand
LR Franco, KCF Toledo, TA Matias, PA Benavides, HM Cezar, CM Araujo, ...
Physical Chemistry Chemical Physics 24 (17), 10222-10240, 2022
32022
Quantum Definition of Molecular Structure
L Lang, HM Cezar, L Adamowicz, TB Pedersen
Journal of the American Chemical Society 146 (3), 1760-1764, 2024
22024
SANS Spectra with PLUMED: Implementation and Application to Metainference
HM Cezar, M Cascella
Journal of Chemical Information and Modeling 63 (16), 4979-4985, 2023
22023
Accelerating Lipid Flip-Flop at Low Concentrations: A General Mechanism for Membrane Binding Peptides
M Carrer, JE Nielsen, HM Cezar, R Lund, M Cascella, TA Soares
The Journal of Physical Chemistry Letters 14 (31), 7014-7019, 2023
22023
Implementação e desenvolvimento de algoritmo eficiente para deformação intramolecular com o método Monte Carlo
HM Cezar
Universidade de São Paulo, 2018
12018
Phase coexistence in Hamiltonian hybrid particle–field theory using a Multi-Gaussian approach
S Sen, HM Cezar, M Ledum, X Li, M Cascella
The Journal of Physical Chemistry B 128 (47), 11739-11747, 2024
2024
Beyond Core–Shell Micellar Structures: Complex Structures in Simple Surfactants
HM Cezar, VA Bjørnestad, S Prévost, R Lund, M Cascella
Small Structures, 2400553, 2024
2024
Mechanical and adsorption properties of greenhouse gases filled carbon nanotubes
DA Damasceno, HM Cezar, TD Lanna, A Kirch, CR Miranda
arXiv preprint arXiv:2307.11708, 2023
2023
Water adsorption in ultrathin silica nanotubes
HM Cezar, CR Miranda
arXiv preprint arXiv:2307.09965, 2023
2023
Effects of van der Waals interaction on the N adsorption on carbon nanotubes: proposal of new force field parameters
CAM Junior, HM Cezar, DA Damasceno, CR Miranda
arXiv preprint arXiv:2307.10117, 2023
2023
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