Resultats - Molecular simulation I: Complex Systems
Molecular simulation I: Complex Systems
| Tesis Doctorals Dirigides / Theses |
| 2021 | 2022 | 2023 | 2024 | 2025 |
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| 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 |
| 2021 | 2022 | 2023 | 2024 | 2025 |
|---|
| Títol: Generalized energy-conserving dissipative particle dynamics with mass transfer: coupling between energy and mass exchange |
| Autors: Colella, G; Mackie, AD; Larentzos, JP; Brennan, JK; Lisal, M; Avalos, JB |
| 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, DC; Lisal, M; Larentzos, JP; Brennan, JK; Mackie, AD; Avalos, JB |
| Any: 2024 Clau: Article |
| Revista: Physical Chemistry Chemical Physics |
| País: N/D |
| 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; Lisal, 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; Daza, FAG; 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: Avalos, JB; Lísal, M; Larentzos, JP; Mackie, AD; Brennan, JK |
| Any: 2021 Clau: Article |
| Revista: Physical Review e |
| País: N/D |
| Llibres / Books |
| 2021 | 2022 | 2023 | 2024 | 2025 |
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| Capítols de Llibre / Book chapters |
| 2021 | 2022 | 2023 | 2024 | 2025 |
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| Altres Documents / Other documents |
| 2021 | 2022 | 2023 | 2024 | 2025 |
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| Patents Sol.licitades / Patents |
| 2021 | 2022 | 2023 | 2024 | 2025 |
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| Congressos / Conferences |
| 2021 | 2022 | 2023 | 2024 | 2025 |
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