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Zoltán Ható
Zoltán Ható
Verified email at almos.uni-pannon.hu
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Year
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
M Valiskó, B Matejczyk, Z Ható, T Kristóf, E Mádai, D Fertig, D Gillespie, ...
The Journal of chemical physics 150 (14), 2019
412019
Multiscale modeling of a rectifying bipolar nanopore: explicit-water versus implicit-water simulations
Z Ható, M Valiskó, T Kristóf, D Gillespie, D Boda
Physical Chemistry Chemical Physics 19 (27), 17816-17826, 2017
402017
Simulation assisted characterization of kaolinite–methanol intercalation complexes synthesized using cost-efficient homogenization method
É Makó, A Kovács, Z Ható, T Kristóf
Applied Surface Science 357, 626-634, 2015
382015
Simulation of steady-state diffusion: Driving force ensured by dual control volumes or local equilibrium Monte Carlo
Z Ható, D Boda, T Kristóf
The Journal of chemical physics 137 (5), 2012
352012
Characterization of kaolinite–ammonium acetate complexes prepared by one-step homogenization method
É Makó, A Kovács, Z Ható, B Zsirka, T Kristóf
Journal of colloid and interface science 431, 125-131, 2014
282014
Simulation study of intercalation complexes of kaolinite with simple amides as primary intercalation reagents
T Kristóf, Z Sarkadi, Z Ható, G Rutkai
Computational Materials Science 143, 118-125, 2018
272018
The role of clay surfaces in the heterogeneous nucleation of calcite: Molecular dynamics simulations of cluster formation and attachment
MA Fodor, Z Ható, T Kristóf, M Pósfai
Chemical Geology 538, 119497, 2020
232020
Simulation study of a rectifying bipolar ion channel: Detailed model versus reduced model
Z Ható, D Boda, D Gillespie, J Vrabec, G Rutkai, T Kristóf
Condensed Matter Physics 19 (1), 13802, 2016
232016
Water-mediated potassium acetate intercalation in kaolinite as revealed by molecular simulation
Z Ható, É Makó, T Kristóf
Journal of molecular modeling 20, 1-10, 2014
232014
Molecular simulation of water removal from simple gases with zeolite NaA
É Csányi, Z Ható, T Kristóf
Journal of Molecular Modeling, 1-8, 2011
152011
A simple method for the simulation of steady-state diffusion through membranes: pressure-tuned, boundary-driven molecular dynamics
Z Ható, Á Kaviczki, T Kristóf
Molecular Simulation 42 (1), 71-80, 2016
132016
From nanotubes to nanoholes: Scaling of selectivity in uniformly charged nanopores through the Dukhin number for 1: 1 electrolytes
Z Sarkadi, D Fertig, Z Ható, M Valiskó, D Boda
The Journal of Chemical Physics 154 (15), 2021
102021
Nanoscale structural and morphological features of kaolinite nanoscrolls
É Makó, I Dódony, P Pekker, M Pósfai, A Kovács, Z Ható, T Kristóf
Applied Clay Science 198, 105800, 2020
102020
Communication: Molecular simulation study of kaolinite intercalation with realistic layer size
Z Ható, G Rutkai, J Vrabec, T Kristóf
The Journal of Chemical Physics 141 (9), 2014
102014
Stability of the kaolinite-guest molecule intercalation system: A molecular simulation study
G Rutkai, Z Ható, T Kristóf
Fluid Phase Equilibria 409, 434-438, 2016
92016
Molecular simulation study of the curling behavior of the finite free-standing kaolinte layer
Z Ható, J Vrabec, T Kristóf
Computational Materials Science 186, 110037, 2021
62021
Characterization of kaolinite-3-aminopropyltriethoxysilane intercalation complexes
É Makó, Z Sarkadi, Z Ható, T Kristóf
Applied Clay Science 231, 106753, 2023
32023
MOLECULAR SIMULATION STUDY OF KAOLINITE INTERCALATION
Z Ható, É Makó, T Kristóf
12th Joint European Thermodynamics Conference Brescia, 2013
12013
Assessment of adsorptive separation performance of hypothetical pure silica zeolites by using a fast structural characterization and atomistic simulation predictions
T Kristóf, Z Ható
Microporous and Mesoporous Materials, 113040, 2024
2024
Scaling for selectivity in finite nanopores for 1: 1 electrolytes: The dependence of predictability of device behavior on system parameters
Z Sarkadi, Z Ható, M Valiskó, D Boda
Journal of Molecular Liquids 387, 122571, 2023
2023
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