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Resultats - Molecular Simulation


Molecular Simulation

Tesis Doctorals Dirigides / Theses 
2017 2018 2019 2020 2021
Títol: Numerical study of bio-fluids and mass transfer processes through membranes
Autor: Jonathan Florez Giraldo
Director: Salueña Pérez, Clara (Autor O Coautor) ; Antón Vernet Peña; Clara Salueña Pérez; Salvatore Cito
Universitat: N/D
Any: 2018
País: N/D
Títol: Study of bio-fluids and mass transfer processes through membranes using numerical methods
Autor: Jonathan Flórez Giraldo
Director: Vernet Peña, Antonio; Salueña Pérez, Clara
Universitat: N/D
Any: 2018
País: N/D
Títol: Optimisation of wastewater treatment at Ecoparc 2
Autor: Eloísa Albacete García
Director: Mackie, Allan Donald
Universitat: N/D
Any: 2017
País: N/D
Títol: Optimisation of wastewater treatment at ecoparc 2
Autor: Maria Eloisa Albacete Garcia
Director: Mackie, Allan Donald (Autor O Coautor); Allan Donald Mackie (Director); Inmaculada Sanz Velázquez
Universitat: N/D
Any: 2017
País: N/D
Títol: Coarse-grained mean-field simulations of surfactant micelles: static and dynamic equilibrium properties
Autor: Fabián Alonso García Daza
Director: Mackie, Allan Donald
Universitat: N/D
Any: 2017
País: N/D
Títol: Hydrodynamic modeling of granular materials: from granular gas to the freezing point and beyond
Autor: Lídia Almazán Torres
Director: Salueña Pérez, Clara
Universitat: N/D
Any: 2017
País: N/D
Publicacions en Revista / Papers 
2017 2018 2019 2020 2021
Títol: Generalized energy-conserving dissipative particle dynamics revisited: Insight from the thermodynamics of the mesoparticle leading to an alternative heat flow model
Autors: Bonet Avalos J; Lísal M; Larentzos JP; Mackie AD; Brennan JK
Any: 2021 Clau: Article
Revista: Physical Review e
País: N/D
Títol: Acoustic wave propagation and its application to fluid structure interaction using the Cumulant Lattice Boltzmann Method
Autors: Gorakifard M; Cuesta I; Salueña C; Kian Far E
Any: 2021 Clau: Article
Revista: Computers & Mathematics With Applications
País: N/D
Títol: Analysis of Aeroacoustic Properties of the Local Radial Point Interpolation Cumulant Lattice Boltzmann Method
Autors: Gorakifard, Mohsen; Saluena, Clara; Cuesta, Ildefonso; Far, Ehsan Kian;
Any: 2021 Clau: Article
Revista: Energies
País: N/D
Títol: General isotropic micropolar fluid model in smoothed particle hydrodynamics
Autors: Souto-Iglesias, A.; Bonet Avalos, J.; Antuono, M.; Colagrossi, A.;
Any: 2021 Clau: Article
Revista: Physical Review e
País: N/D
Títol: Shear-viscosity-independent bulk-viscosity term in smoothed particle hydrodynamics
Autors: Bonet Avalos, Josep; Antuono, Matteo; Colagrossi, Andrea; Souto-Iglesias, Antonio;
Any: 2020 Clau: Article
Revista: Physical Review e
País: N/D
Títol: Synchronization of life cycles by collective transport and emergence of supercycles
Autors: Esipov, Sergei; Saluena, Clara;
Any: 2020 Clau: Article
Revista: Physical Review e
País: N/D
Títol: Phase behavior of gelatin/maltodextrin aqueous mixtures studied from a combined experimental and theoretical approach
Autors: Masullo, Fabrizio; Beldengrun, Yoran; Miras, Jonathan; Mackie, Allan D.; Esquena, Jordi; Avalos, Josep Bonet;
Any: 2020 Clau: Article
Revista: Fluid Phase Equilibria
País: N/D
Títol: Dimension-Controlled Dewetting in Hydrophobic Porous Nanocapsules
Autors: Melgar D; Zhou Q; Chakraborty S; Porcar L; Weinstock IA; Ávalos JB; Wu B; Bo C; Yin P
Any: 2020 Clau: Article
Revista: Journal Of Physical Chemistry c
País: N/D
Títol: Generalised dissipative particle dynamics with energy conservation: density- and temperature-dependent potentials
Autors: Avalos JB, Lísal M, Larentzos JP, Mackie AD, Brennan JK.
Any: 2019 Clau: Article
Revista: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
País: N/D
Títol: Generalised dissipative particle dynamics with energy conservation: Density- And temperature-dependent potentials
Autors: Avalos JB; Lísal M; Larentzos JP; Mackie AD; Brennan JK
Any: 2019 Clau: Article
Revista: Physical Chemistry Chemical Physics
País: N/D
Títol: Blood flow in channel constrictions: a lattice-Boltzmann consistent comparison between Newtonian and non-Newtonian models
Autors: Orozco G, Gonzalez-Hidalgo C, Mackie A, Diaz J, Roa Romero D
Any: 2019 Clau: Article
Revista: Journal Of Applied Fluid Mechanics
País: N/D
Títol: Coarse-grained simulations of modified Jeffamine ED900 micelles
Autors: Garcia Daza, Fabian A.; Mackie, Allan D.;
Any: 2018 Clau: Article
Revista: Molecular Simulation
País: N/D
Títol: Multi-scale hybrid numerical model for the study of mass transfer through a microporous artificial membrane
Autors: Giraldo J., Cito S., Vernet A., Salueña C.
Any: 2018 Clau: Article
Revista: HEAT AND MASS TRANSFER
País: N/D
Títol: Multi-scale hybrid numerical model for the study of mass transfer through a microporous artificial membrane
Autors: Giraldo J; Cito S; Vernet A; Salueña C
Any: 2018 Clau: Article
Revista: Heat And Mass Transfer
País: N/D
Títol: Discussion of Stokes' hypothesis through the smoothed particle hydrodynamics model
Autors: Colagrossi A, Durante D, Bonet Avalos J, Souto-Iglesias A
Any: 2017 Clau: Article
Revista: PHYSICAL REVIEW E
País: N/D
Títol: Discussion of Stokes' hypothesis through the smoothed particle hydrodynamics model
Autors: Colagrossi A; Durante D; Bonet Avalos J; Souto-Iglesias A
Any: 2017 Clau: Article
Revista: Physical Review e
País: N/D
Títol: Simulation Analysis of the Kinetic Exchange of Copolymer Surfactants in Micelles
Autors: García Daza F; Avalos J; Mackie A
Any: 2017 Clau: Article
Revista: Langmuir
País: N/D
Títol: Logarithmic Exchange Kinetics in Monodisperse Copolymeric Micelles
Autors: García Daza F; Bonet Avalos J; Mackie A
Any: 2017 Clau: Article
Revista: Physical Review Letters
País: N/D
Títol: Simulation Analysis of the Kinetic Exchange of Copolymer Surfactants in Micelles
Autors: García Daza FA, Avalos JB, Mackie AD.
Any: 2017 Clau: Article
Revista: LANGMUIR
País: N/D
Títol: Logarithmic Exchange Kinetics in Monodisperse Copolymeric Micelles
Autors: García Daza FA, Bonet Avalos J, Mackie AD.
Any: 2017 Clau: Article
Revista: PHYSICAL REVIEW LETTERS
País: N/D
Títol: Energy decay in a granular gas collapse
Autors: Lidia Almazán; Dan Serero; Clara Salueña; Thorsten Pöschel
Any: 2017 Clau: Article
Revista: New Journal Of Physics
País: N/D
Títol: Anions coordinating anions: analysis of the interaction between anionic Keplerate nanocapsules and their anionic ligands
Autors: Melgar, Dolores; Bandeira, Nuno A. G.; Avalos, Josep Bonet; Bo, Carles;
Any: 2017 Clau: Article
Revista: Physical Chemistry Chemical Physics
País: N/D
Llibres / Books 
2017 2018 2019 2020 2021
Capítols de Llibre / Book chapters 
2017 2018 2019 2020 2021
Altres Documents / Other documents 
2017 2018 2019 2020 2021
Patents Sol.licitades / Patents 
2017 2018 2019 2020 2021
Congressos / Conferences 
2017 2018 2019 2020 2021
Autor/a: Josep Bonet Avalos
Títol: Generalised Energy-Conserving Dissipative Particle Dynamics: a coarse-grained method to simulate complex fluids through a locally defined fluctuating thermodynamics.
Congrés/acte: N/D
Congrés/acte: Paper
Any: 2021
Autor/a: Gorakifard, Mohsen; Cuesta, Ildefonso; Salueña, Clara; Kian far, Ehsan
Títol: Acoustical analysis of fluid structure interaction using the Cumulant lattice Boltzmann method
Congrés/acte: N/D
Congrés/acte: Speaker
Any: 2019
Autor/a: Josep Bonet Avalos
Títol: Kinetic exchange of copolymer surfactants in micelles
Congrés/acte: N/D
Congrés/acte: Invited paper
Any: 2018
Autor/a: Maria Pantelidou ; Allan D.Mackie
Títol: Coarse-grained mean-field simulations of a triblock copolymer system. The effect of flexibility on the micellization behavior
Congrés/acte: Https://Doi.Org/10.1063/1.5091435
Congrés/acte: Poster
Any: 2018
Autor/a: Pantelidou, M.; Mackie, A.D.
Títol: Coarse-grained mean-field simulations of a triblock copolymer system. The effect of flexibility on the micellization behavior
Congrés/acte: Conference On Complex Systems 2018 (Ccs2018)
Congrés/acte: Poster
Any: 2018
Autor/a: Josep Bonet
Títol: Sense especificar. 10th World Congress of Chemical Engineering; 1st -5th October, 2017
Congrés/acte: 10th World Congress Of Chemical Engineering; 1st -5th October, 2017
Congrés/acte: Speaker
Any: 2017
Autor/a: Josep Bonet
Títol: Sense especificar. 9th Workshop of the Departament of Chemical and Biomolecular Nanotechnology; Setember 14, 2017
Congrés/acte: 9th Workshop Of The Departament Of Chemical And Biomolecular Nanotechnology; Setember 14, 2017
Congrés/acte: Speaker
Any: 2017
Autor/a: Josep Bonet
Títol: Sense especificar. Workshop on Biomaterials and their Interactions with Biological and Model Membranes 6th Edition; September 7-9, 2017
Congrés/acte: Workshop On Biomaterials And Their Interactions With Biological And Model Membranes 6th Edition; September 7-9, 2017
Congrés/acte: Speaker
Any: 2017