Resultats - Molecular simulation II: Polymers and Interfaces
Molecular simulation II: Polymers and Interfaces
| Tesis Doctorals Dirigides / Theses |
| 2020 | 2021 | 2022 | 2023 | 2024 |
|---|
| Títol: New methods in the study of problems in Statistical Mechanics and Stochastic Processes |
| Autor: Masullo, Fabrizio |
| Director: Mackie Walker, Allan Donald; Bonet Avalos, José |
| Universitat: N/D |
| Any: 2024 |
| País: N/D |
| 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 |
| 2020 | 2021 | 2022 | 2023 | 2024 |
|---|
| Títol: Generalized energy-conserving dissipative particle dynamics with mass transfer: coupling between energy and mass exchange |
| Autors: Colella, Giuseppe; Mackie, Allan D; Larentzos, James P; Brennan, John K; Lisal, Martin; Bonet Avalos, Josep |
| Any: 2024 Clau: Article |
| Revista: Journal Of Non-Equilibrium Thermodynamics |
| País: N/D |
| Títol: Green-Kubo expressions for transport coefficients from dissipative particle dynamics simulations revisited |
| Autors: Malaspina, D C; Lisal, M; Larentzos, J P; Brennan, J K; Mackie, A D; Avalos, J Bonet |
| Any: 2024 Clau: Article |
| Revista: Physical Chemistry Chemical Physics |
| País: N/D |
| Títol: Folding Domain Functions (FDF): A Random Variable Transformation technique for the non-invertible case, with applications to RDEs |
| Autors: Masullo, F.; Zanolin, F.; Bonet Avalos, J. |
| Any: 2024 Clau: Article |
| Revista: Communications In Nonlinear Science And Numerical Simulation |
| País: N/D |
| Títol: Folding Domain Functions (FDF): A Random Variable Transformation technique for the non-invertible case, with applications to RDEs |
| Autors: Masullo, Fabrizio; Zanolin, Fabio; Avalos, Josep Bonet |
| Any: 2024 Clau: Article |
| Revista: Communications In Nonlinear Science And Numerical Simulation |
| País: N/D |
| Títol: Transport coefficients from Einstein-Helfand relations using standard and energy-conserving dissipative particle dynamics methods |
| Autors: Malaspina, D C; Lisal, M; Larentzos, J P; Brennan, J K; Mackie, A D; Avalos, J Bonet |
| 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, Josep Bonet; Lisal, Martin; Larentzos, James P; Mackie, Allan D; Brennan, John K |
| 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, Martin; Avalos, Josep Bonet; Larentzos, James P; Mackie, Allan D; Brennan, John K |
| Any: 2022 Clau: Article |
| Revista: Journal Of Chemical Theory And Computation |
| País: N/D |
| Títol: Generalized Energy-Conserving Dissipative Particle Dynamics with Reactions |
| Autors: Lisal, Martin; Larentzos, James P; Avalos, Josep Bonet; Mackie, Allan D; Brennan, John K |
| 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, Maria S; Daza, Fabian A Garcia; Bonet Avalos, Josep; Mackie, Allan D |
| 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, Josep; Lisal, Martin; Larentzos, James P; Mackie, Allan D; Brennan, John K |
| 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 |
| Llibres / Books |
| 2020 | 2021 | 2022 | 2023 | 2024 |
|---|
| Capítols de Llibre / Book chapters |
| 2020 | 2021 | 2022 | 2023 | 2024 |
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| Altres Documents / Other documents |
| 2020 | 2021 | 2022 | 2023 | 2024 |
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| Patents Sol.licitades / Patents |
| 2020 | 2021 | 2022 | 2023 | 2024 |
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| Congressos / Conferences |
| 2020 | 2021 | 2022 | 2023 | 2024 |
|---|
| 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 |
