| 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 | 59 | 2020 |
| 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 | 27 | 2019 |
| 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 | 18 | 2016 |
| 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 | 17 | 2017 |
| 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 | 15 | 2021 |
| 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 | 13 | 2020 |
| 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 | 12 | 2019 |
| DICE: A Monte Carlo program for molecular liquid simulation HM Cezar, S Canuto, K Coutinho University of São Paulo, São Paulo 3, 2018 | 12 | 2018 |
| 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 | 4 | 2024 |
| 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 | 4 | 2024 |
| 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 | 3 | 2022 |
| Quantum Definition of Molecular Structure L Lang, HM Cezar, L Adamowicz, TB Pedersen Journal of the American Chemical Society 146 (3), 1760-1764, 2024 | 2 | 2024 |
| SANS Spectra with PLUMED: Implementation and Application to Metainference HM Cezar, M Cascella Journal of Chemical Information and Modeling 63 (16), 4979-4985, 2023 | 2 | 2023 |
| Implementação e desenvolvimento de algoritmo eficiente para deformação intramolecular com o método Monte Carlo HM Cezar Universidade de São Paulo, 2018 | 1 | 2018 |
| 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 |
| 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 | | 2023 |
| 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 |
Kaline CoutinhoProfessor de Física, Universidade de São PauloVerified email at if.usp.br
