Molecular Simulation of Aqueous Electrolyte Solubility. 2. Osmotic Ensemble Monte Carlo Methodology for Free Energy and Solubility Calculations and Application to NaCl
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Published in The journal of physical chemistry. B (23.06.2011)
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Published in Macromolecules (25.08.2020)
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Published in Macromolecules (08.04.2014)
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An enhanced entangled polymer model for dissipative particle dynamics
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Published in The Journal of chemical physics (07.04.2012)
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Highly scalable discrete-particle simulations with novel coarse-graining: accessing the microscale
Mattox, Timothy I., Larentzos, James P., Moore, Stan G., Stone, Christopher P., Ibanez, Daniel A., Thompson, Aidan P., Lísal, Martin, Brennan, John K., Plimpton, Steven J.
Published in Molecular physics (18.08.2018)
Published in Molecular physics (18.08.2018)
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Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 1: Theoretical Foundation and Algorithm
Avalos, Josep Bonet, Lísal, Martin, Larentzos, James P., Mackie, Allan D., Brennan, John K.
Published in Journal of chemical theory and computation (13.12.2022)
Published in Journal of chemical theory and computation (13.12.2022)
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Generalized Energy-Conserving Dissipative Particle Dynamics with Mass Transfer. Part 2: Applications and Demonstrations
Lísal, Martin, Avalos, Josep Bonet, Larentzos, James P., Mackie, Allan D., Brennan, John K.
Published in Journal of chemical theory and computation (13.12.2022)
Published in Journal of chemical theory and computation (13.12.2022)
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