Resultats - Molecular Simulation
Molecular Simulation
| Tesis Doctorals Dirigides / Theses |
| 2018 | 2019 | 2020 | 2021 | 2022 |
|---|
| 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: Cito, Salvatore; Vernet Peña, Antonio; Salueña Pérez, Clara |
| Universitat: N/D |
| Any: 2018 |
| País: N/D |
| Publicacions en Revista / Papers |
| 2018 | 2019 | 2020 | 2021 | 2022 |
|---|
| Títol: Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 1: Theoretical Foundation and Algorithm |
| Autors: Avalos JB; Lísal M; Larentzos JP; Mackie AD; Brennan JK |
| Any: 2022 Clau: Article |
| Revista: Journal Of Chemical Theory And Computation |
| País: N/D |
| Títol: Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 2: Applications and Demonstrations |
| Autors: Lisal, M; Avalos, JB; Larentzos, JP; Mackie, AD; Brennan, JK |
| Any: 2022 Clau: Article |
| Revista: Journal Of Chemical Theory And Computation |
| País: N/D |
| Títol: Generalized Energy-Conserving Dissipative Particle Dynamics with Reactions |
| Autors: Lísal M; Larentzos JP; Avalos JB; Mackie AD; Brennan JK |
| Any: 2022 Clau: Article |
| Revista: Journal Of Chemical Theory And Computation |
| País: N/D |
| Títol: Universal Scaling for the Exit Dynamics of Block Copolymers from Micelles at Short and Long Time Scales |
| Autors: Pantelidou MS; García Daza FA; Avalos JB; Mackie AD |
| Any: 2022 Clau: Article |
| Revista: Macromolecules |
| País: N/D |
| 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 |
| Llibres / Books |
| 2018 | 2019 | 2020 | 2021 | 2022 |
|---|
| Capítols de Llibre / Book chapters |
| 2018 | 2019 | 2020 | 2021 | 2022 |
|---|
| Altres Documents / Other documents |
| 2018 | 2019 | 2020 | 2021 | 2022 |
|---|
| Patents Sol.licitades / Patents |
| 2018 | 2019 | 2020 | 2021 | 2022 |
|---|
| Congressos / Conferences |
| 2018 | 2019 | 2020 | 2021 | 2022 |
|---|
| Autor/a: Clara Salueña; Sergei Esipov |
| Títol: Synchronous behavior of crops: Alternate bearing strategies of adaptation |
| Congrés/acte: N/D |
| Congrés/acte: Speaker |
| Any: 2022 |
| 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: Josep Bonet Avalos |
| Títol: Generalised Energy-Conserving Dissipative Particle Dynamics: a coarse-grained method to simulate complex fluids through a locally defined fluctuating thermodynamics.Generalised Energy-Conserving Dissipative Particle Dynamics: a coarse-grained method to tackle simulations of complex fluids |
| Congrés/acte: N/D |
| Congrés/acte: Invited paper |
| Any: 2020 |
| 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: N/D |
| Congrés/acte: Poster |
| Any: 2018 |
