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Simulation of steady-state diffusion: driving force ensured by dual control volumes or local equilibrium Monte Carlo.
Ható Z, Boda D, Kristóf T. Ható Z, et al. Among authors: boda d. J Chem Phys. 2012 Aug 7;137(5):054109. doi: 10.1063/1.4739255. J Chem Phys. 2012. PMID: 22894334
The LEMC method has been introduced with the NP+LEMC technique, which was proved to be a fast, but somewhat empirical method to study diffusion [D. Boda and D. Gillespie, J. Chem. Theor. Comput. 8, 824 (2012)]. ...
The LEMC method has been introduced with the NP+LEMC technique, which was proved to be a fast, but somewhat empirical method to study diffus …
The effect of concentration- and temperature-dependent dielectric constant on the activity coefficient of NaCl electrolyte solutions.
Valiskó M, Boda D. Valiskó M, et al. Among authors: boda d. J Chem Phys. 2014 Jun 21;140(23):234508. doi: 10.1063/1.4883742. J Chem Phys. 2014. PMID: 24952553
The II term is obtained from computer simulation using the Primitive Model of electrolytes, while the IW term is estimated from the Born treatment. In our previous work [J. Vincze, M. Valisko, and D. Boda, "The nonmonotonic concentration dependence of the mean activ …
The II term is obtained from computer simulation using the Primitive Model of electrolytes, while the IW term is estimated from the Born tre …
Publisher's Note: "Multiscale analysis of the effect of surface charge pattern on a nanopore's rectification and selectivity properties: From all-atom model to Poisson-Nernst-Planck" [J. Chem. Phys. 150, 144703 (2019)].
Valiskó M, Matejczyk B, Ható Z, Kristóf T, Mádai E, Fertig D, Gillespie D, Boda D. Valiskó M, et al. Among authors: boda d. J Chem Phys. 2019 May 7;150(17):179902. doi: 10.1063/1.5104347. J Chem Phys. 2019. PMID: 31067905 No abstract available.
309 results