Resultats - Molecular simulation II: Polymers and Interfaces
Molecular simulation II: Polymers and Interfaces
Tesis Doctorals Dirigides / Theses |
2019 | 2020 | 2021 | 2022 | 2023 |
---|
Títol: Unraveling the Dynamics and Equilibrium Behavior of Pure and Mixed Micelles: Insights from Microscopic coarse-grain modeling |
Autor: Pantelidou, Maria |
Director: Bonet Avalos, José; Mackie Walker, Allan Donald |
Universitat: N/D |
Any: 2023 |
País: N/D |
Publicacions en Revista / Papers |
2019 | 2020 | 2021 | 2022 | 2023 |
---|
Títol: Transport coefficients from Einstein-Helfand relations using standard and energy-conserving dissipative particle dynamics methods |
Autors: Malaspina, DC; Lisal, M; Larentzos, JP; Brennan, JK; Mackie, AD; Avalos, JB |
Any: 2023 Clau: Article |
Revista: Physical Chemistry Chemical Physics |
País: N/D |
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: 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: 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 |
Llibres / Books |
2019 | 2020 | 2021 | 2022 | 2023 |
---|
Capítols de Llibre / Book chapters |
2019 | 2020 | 2021 | 2022 | 2023 |
---|
Altres Documents / Other documents |
2019 | 2020 | 2021 | 2022 | 2023 |
---|
Patents Sol.licitades / Patents |
2019 | 2020 | 2021 | 2022 | 2023 |
---|
Congressos / Conferences |
2019 | 2020 | 2021 | 2022 | 2023 |
---|
Autor/a: Colella, G; Mackie, AD; Larentzos, JP; Brennan, JK; Lísal, M; Bonet Avalos, J |
Títol: Generalised Energy-Conserving Dissipative Particle Dynamics with Mass Transfer: Coupling between Energy and Mass Exchange |
Congrés/acte: N/D |
Congrés/acte: Paper |
Any: 2023 |
Autor/a: Malaspina, DC; Lísal, M; Larentzos, JP; Brennan, JK; Mackie AD; Bonet Avalos, J |
Títol: Einstein-Helfand relations in Dissipative Particle Dynamics with Energy conservation |
Congrés/acte: N/D |
Congrés/acte: Paper |
Any: 2022 |
Autor/a: Souto-Iglesias, A; Bonet Avalos, J; Antuono, M; Colagrossi, A |
Títol: Lagrangian methods in SPH for complex systems |
Congrés/acte: N/D |
Congrés/acte: Paper |
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 |