| 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 | 40 | 2019 |
| 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 | 39 | 2017 |
| 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 | 38 | 2015 |
| 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 | 35 | 2012 |
| 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 | 27 | 2014 |
| 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 | 26 | 2018 |
| 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 | 23 | 2016 |
| 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 | 23 | 2014 |
| 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 | 22 | 2020 |
| Molecular simulation of water removal from simple gases with zeolite NaA É Csányi, Z Ható, T Kristóf Journal of Molecular Modeling, 1-8, 2011 | 15 | 2011 |
| 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 | 13 | 2016 |
| 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 | 10 | 2021 |
| 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 | 10 | 2020 |
| 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 | 10 | 2014 |
| 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 | 8 | 2016 |
| 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 | 6 | 2021 |
| Characterization of kaolinite-3-aminopropyltriethoxysilane intercalation complexes É Makó, Z Sarkadi, Z Ható, T Kristóf Applied Clay Science 231, 106753, 2023 | 3 | 2023 |
| MOLECULAR SIMULATION STUDY OF KAOLINITE INTERCALATION Z Ható, É Makó, T Kristóf 12th Joint European Thermodynamics Conference Brescia, 2013 | 1 | 2013 |
| 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 |
Dezső BodaUniversity of Pannonia, Veszprém, HungaryGeverifieerd e-mailadres voor mk.uni-pannon.hu
