Assessment of adsorptive separation performance of hypothetical pure silica zeolites by using a fast structural characterization and atomistic simulation predictions von Kristóf, Tamás, Ható, Zoltán

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The role of clay surfaces in the heterogeneous nucleation of calcite: Molecular dynamics simulations of cluster formation and attachment von Fodor, Melinda A., Ható, Zoltán, Kristóf, Tamás, Pósfai, Mihály

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Molecular simulation study of the curling behavior of the finite free-standing kaolinte layer von Ható, Zoltán, Vrabec, Jadran, Kristóf, Tamás

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Characterization of kaolinite-3-aminopropyltriethoxysilane intercalation complexes von Makó, Éva, Sarkadi, Zsófia, Ható, Zoltán, Kristóf, Tamás

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Multiscale modeling of a rectifying bipolar nanopore: explicit-water versus implicit-water simulations von Ható, Zoltán, Valiskó, Mónika, Kristóf, Tamás, Gillespie, Dirk, Boda, Dezsö

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Simulation assisted characterization of kaolinite–methanol intercalation complexes synthesized using cost-efficient homogenization method von Mako, Eva, Kovacs, Andras, Hato, Zoltan, Kristof, Tamas

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Simulation study of intercalation complexes of kaolinite with simple amides as primary intercalation reagents von Kristóf, Tamás, Sarkadi, Zsófia, Ható, Zoltán, Rutkai, Gábor

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Simulation of steady-state diffusion: driving force ensured by dual control volumes or local equilibrium Monte Carlo von Ható, Zoltán, Boda, Dezső, Kristóf, Tamás

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Stability of the kaolinite-guest molecule intercalation system: A molecular simulation study von Rutkai, Gábor, Ható, Zoltán, Kristóf, Tamás

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Water-mediated potassium acetate intercalation in kaolinite as revealed by molecular simulation von Ható, Zoltán, Makó, Éva, Kristóf, Tamás

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Molecular simulation of water removal from simple gases with zeolite NaA von Csányi, Éva, Ható, Zoltán, Kristóf, Tamás

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On the Role of the Interlayer Interactions in Atomistic Simulations of Kaolinite Clay von Ható, Zoltán, Kristóf, Tamás

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From nanotubes to nanoholes: Scaling of selectivity in uniformly charged nanopores through the Dukhin number for 1:1 electrolytes von Sarkadi, Zsófia, Fertig, Dávid, Ható, Zoltán, Valiskó, Mónika, Boda, Dezső

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Electrochemical migration and dendrite growth between two electrodes: Experiments and Brownian dynamics simulations von Ható, Zoltán, Horváth, Barnabás, Guba, Sándor, Tóth, Zsolt, Kocsis, Eszter, Boda, Dezső, Szalai, István

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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 von Valiskó, Mónika, Matejczyk, Bartłomiej, Ható, Zoltán, Kristóf, Tamás, Mádai, Eszter, Fertig, Dávid, Gillespie, Dirk, Boda, Dezső

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Characterization of kaolinite–ammonium acetate complexes prepared by one-step homogenization method von Makó, Éva, Kovács, András, Ható, Zoltán, Zsirka, Balázs, Kristóf, Tamás

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Nanoscale structural and morphological features of kaolinite nanoscrolls von Makó, Éva, Dódony, István, Pekker, Péter, Pósfai, Mihály, Kovács, András, Ható, Zoltán, Kristóf, Tamás

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Communication: Molecular simulation study of kaolinite intercalation with realistic layer size von Ható, Zoltán, Rutkai, Gábor, Vrabec, Jadran, Kristóf, Tamás

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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-Planc... von Valiskó, Mónica, Matejczyk, Bartłomiej, Ható, Zoltán, Kristóf, Tamás, Mádai, Eszter, Fertig, Dávid, Gillespie, Dirk, Boda, Dezső

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Scaling for selectivity in finite nanopores for 1:1 electrolytes: The dependence of predictability of device behavior on system parameters von Sarkadi, Zsófia, Ható, Zoltán, Valiskó, Mónika, Boda, Dezső

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