Model Shape Transitions of Micelles: Spheres to Cylinders and Disks von Daful, Asfaw Gezae, Avalos, Josep Bonet, Mackie, Allan D

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Critical point estimation of the Lennard-Jones pure fluid and binary mixtures von Pérez-Pellitero, Javier, Ungerer, Philippe, Orkoulas, Gerassimos, Mackie, Allan D

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Thermodynamic and transport properties of carbon dioxide from molecular simulation von Nieto-Draghi, Carlos, de Bruin, Theodorus, Pérez-Pellitero, Javier, Bonet Avalos, Josep, Mackie, Allan D

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Generalized Energy-Conserving Dissipative Particle Dynamics with Reactions von Lísal, Martin, Larentzos, James P, Avalos, Josep Bonet, Mackie, Allan D, Brennan, John K

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Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 1: Theoretical Foundation and Algorithm von Avalos, Josep Bonet, Lísal, Martin, Larentzos, James P., Mackie, Allan D., Brennan, John K.

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Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 2: Applications and Demonstrations von Lísal, Martin, Avalos, Josep Bonet, Larentzos, James P., Mackie, Allan D., Brennan, John K.

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Universal Scaling for the Exit Dynamics of Block Copolymers from Micelles at Short and Long Time Scales von Pantelidou, Maria S, García Daza, Fabián A, Avalos, Josep Bonet, Mackie, Allan D

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Coarse-grained mean field simulations of a triblock copolymer system. The effect of flexibility on the micellization behavior von Pantelidou, Maria, Mackie, Allan D.

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Generalised dissipative particle dynamics with energy conservation: density- and temperature-dependent potentials von Avalos, Josep Bonet, Lísal, Martin, Larentzos, James P, Mackie, Allan D, Brennan, John K

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Physical Absorption of Green House Gases in Amines: The Influence of Functionality, Structure, and Cross-Interactions von Orozco, Gustavo A, Lachet, Véronique, Mackie, Allan D

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Logarithmic Exchange Kinetics in Monodisperse Copolymeric Micelles von García Daza, Fabián A, Bonet Avalos, Josep, Mackie, Allan D

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Simulation Analysis of the Kinetic Exchange of Copolymer Surfactants in Micelles von García Daza, Fabián A, Avalos, Josep Bonet, Mackie, Allan D

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A Transferable Force Field To Predict Phase Equilibria and Surface Tension of Ethers and Glycol Ethers von Ferrando, Nicolas, Lachet, Véronique, Pérez-Pellitero, Javier, Mackie, Allan D., Malfreyt, Patrice, Boutin, Anne

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Accurate Critical Micelle Concentrations from a Microscopic Surfactant Model von Gezae Daful, Asfaw, Baulin, Vladimir A, Bonet Avalos, Josep, Mackie, Allan D

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Transport coefficients and dynamic properties of hydrogen sulfide from molecular simulation von Nieto-Draghi, Carlos, Mackie, Allan D, Bonet Avalos, Josep

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Mean-Field Coarse-Grained Model for Poly(ethylene oxide)-Poly(propylene oxide)-Poly(ethylene oxide) Triblock Copolymer Systems von García Daza, Fabián A, Colville, Alexander J, Mackie, Allan D

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Generalized energy-conserving dissipative particle dynamics revisited: Insight from the thermodynamics of the mesoparticle leading to an alternative heat flow model von Bonet Avalos, Josep, Lisal, Martin, Larentzos, James P., Mackie, Allan D., Brennan, John K.

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A Transferable Force Field for Primary, Secondary, and Tertiary Alkanolamines von Orozco, Gustavo A, Lachet, Véronique, Nieto-Draghi, Carlos, Mackie, Allan D

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Chain architecture and micellization: a mean-field coarse-grained model for poly(ethylene oxide) alkyl ether surfactants von García Daza, Fabián A, Colville, Alexander J, Mackie, Allan D

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Prediction of the critical micelle concentration in a lattice model for amphiphiles using a single-chain mean-field theory von Al-Anber, Zaid A, Avalos, Josep Bonet, Mackie, Allan D

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