Publikace
Milan Předota - publikace (publications)
1383 citací/citations, h-index 18 (3/2020, bez autocitací/without autocitations).




Impaktované články (Papers):
- M. Předota and M. Kotrla: “Stochastic equations for simple discrete models of epitaxial growth“, Physical Review E 54, 3933-3942, (1996). https://dx.doi.org/10.1103/PhysRevE.54.3933
- M. Kotrla and M. Předota: “Interplay between kinetic roughening and phase ordering”, Europhysics Letters 39 , 251-256 (1997). https://dx.doi.org/10.1209/epl/i1997-00343-4
- M. Kotrla, M. Předota, and F. Slanina: “Kinetic roughening and phase ordering in the two-component growth model”, Surface Science, 402-404, 249-252 (1998). https://dx.doi.org/10.1016/S0039-6028(97)00964-3
- M. Kotrla, F. Slanina, and M. Předota: “Scaling in the two-component surface growth”, Physical Review B 58 , 10003-10011(1998). https://dx.doi.org/10.1103/PhysRevB.58.10003
- M. Předota, I. Nezbeda, and Yu. V. Kalyuzhnyi: Fluids of pseudo-hard bodies II. Reference models for water, methanol, and ammonia“, Molecular Physics 94, 937-948 (1998). https://dx.doi.org/10.1080/002689798167511
- M. Předota and I. Nezbeda: “Hydrophobic hydration at the level of primitive models”, Molecular Physics 96, 1237-1248 (1999). https://dx.doi.org/10.1080/00268979909483069
- M. Předota, A. A. Chialvo, and P. T. Cummings: “On the determination of the vapor-liquid envelope for polarizable models by Monte Carlo simulation “, Fluid Phase Equilibria, 183-184 , 295-300 (2001). https://dx.doi.org/10.1016/S0378-3812(01)00441-1
- M. Předota, P. T. Cummings, and A. A. Chialvo: “Pair approximation for polarization interaction: Efficient method for Monte Carlo simulations of polarizable fluids”, Molecular Physics 99, 349-354 (2001). https://dx.doi.org/10.1080/00268970010012338
- M. Předota, I. Nezbeda and P. T. Cummings: “Hydrophobic hydration at the level of primitive models. II. Large solutes and water restructuring”, Molecular Physics 100, 2189-2200 (2002). https://dx.doi.org/10.1080/00268970210124800
- M. Předota, P. T. Cummings, and A. A. Chialvo: “Pair approximation for polarization interaction and adiabatic nuclear and electronic sampling method for fluids with dipole polarizability”, Molecular Physics 100 , 2703-2718 (2002). https://dx.doi.org/10.1080/00268970210137284
- J. Rivera, M. Předota, P. T. Cummings, and A. A. Chialvo: “Vapor-Liquid simulation of the SCPDP model of water”, Chemical Physics Letters 357 , 189-194 (2002). https://dx.doi.org/10.1016/S0009-2614(02)00527-4
- M. Předota, A. Ben-Naim, I. Nezbeda: “On independence of the solvation of interaction sites of a water molecule”, Journal of Chemical Physics 118, 6446-6454 (2003). https://dx.doi.org/10.1063/1.1559687
- Z. Zhang, P. Fenter, L. Cheng, N. C. Sturchio, M. J. Bedzyk, M. Předota, A. Bandura, J. D. Kubicki, S. N. Lvov, P. T. Cummings, A. A. Chialvo, M. K. Ridley, P. Bénézeth, L. Anovitz, D. A. Palmer, M. L. Machesky, D. J. Wesolowski: “Ion Adsorption at the Rutile-Water Interface: Linking Molecular and Macroscopic Properties, Langmuir 20, 4954-4969, (2004). https://dx.doi.org/10.1021/la0353834
- M. Předota, A. V. Bandura, P. T. Cummings, J. D. Kubicki, D. J. Wesolowski, A. A. Chialvo, and M. L. Machesky: “Electric double layer at the rutile (110) surface. 1. Structure of surfaces and interfacial water from molecular dynamics using ab initio potentials”, J. Phys. Chem. B 108(32), 12049-12060 (2004). https://dx.doi.org/10.1021/jp037197c
- M. Předota, Z. Zhang, P. Fenter, D. J. Wesolowski, and P. T. Cummings: “Electric double layer at the rutile (110) surface. 2. Adsorption of ions from molecular dynamics and X-ray experiments”, J. Phys. Chem. B 108(32), 12061-12072 (2004). https://dx.doi.org/10.1021/jp037199x
- P. Paricaud, M. Předota, A.A. Chialvo, P.T. Cummings: “From dimer to condensed phases at extreme conditions: Accurate predictions of the properties of water by a Gaussian charge polarizable model”, J. Chem. Phys. 112(24), Art. No. 244511 (2005). https://dx.doi.org/10.1063/1.1940033
- P. Jedlovszky, M. Předota, and I. Nezbeda: “Hydration of apolar solutes of varying size: a systematic study”, Molecular Physics 104, 2465–2476 (2006). https://dx.doi.org/10.1080/00268970600761101
- M. Předota and L. Vlček: “Comment on Parts 1 and 2 of the Series “Electric Double Layer at the Rutile (110) Surface”, J. Phys. Chem. B 111, 1245-1247 (2007). https://dx.doi.org/10.1021/jp068250a
- M. Předota, P. T. Cummings, and D. J. Wesolowski: “Electric Double Layer at the Rutile (110) Surface. 3. Inhomogeneous Viscosity and Diffusivity Measurement by Computer Simulations” J. Phys. Chem. C 111, 3071 - 3079 (2007). https://dx.doi.org/10.1021/jp065165u
- L. Vlcek, Z. Zhang, M. L. Machesky, P. Fenter, J. Rosenqvist, D. J. Wesolowski, L. M. Anovitz, M. Předota, and P. T. Cummings: “Electric Double Layer at Metal Oxide Surfaces: Static Properties of the Cassiterite-Water Interface”, Langmuir 23, 4925 - 4937 (2007). https://dx.doi.org/10.1021/la063306d
- M. L. Machesky, M. Předota, D. J. Wesolowski, L. Vlcek, P. T. Cummings, J. Rosenqvist, M. K. Ridley, J. D. Kubicki, A. V. Bandura, N. Kumar, and J. O. Sofo “Surface Protonation at the Rutile (110) Interface: Explicit Incorporation of Solvation Structure within the Refined MUSIC Model Framework”, Langmuir 24, 12331-12339 (2008). https://dx.doi.org/10.1021/la801356m
- M. Předota, I. Nezbeda, and S. Pařez: “Coarse-grained potential for interaction with a spherical colloidal particle and planar wall”, Collect. Czech. Chem. Commun. 75, 527-545 (2010). https://dx.doi.org/10.1135/cccc2009542
- M. Machesky, D. Wesolowski, J. Rosenqvist, M. Předota, L. Vlcek, M. Ridley, V. Kohli, Z. Zhang, P. Fenter, P. Cummings, S. Lvov, M. Fedkin, V. Rodriguez-Santiago, J. Kubicki, and A. Bandura: “Comparison of Cation Adsorption by Isostructural Rutile and Cassiterite”, Langmuir 27, 4585–4593 (2011). https://dx.doi.org/10.1021/la1040163
- S. Pařez and M. Předota: “Determination of Distance-dependent Viscosity of Mixtures in Parallel Slabs using Non-equilibrium Molecular Dynamics”, Phys. Chem. Chem. Phys. 14, 3640-3650 (2012). https://dx.doi.org/10.1039/c2cp22136e
- I. Romancová, Z. Chval and M. Předota: “Influence of the Environment on the Specificity of the Mg(II) Binding to Uracil”, J. Phys. Chem. A 116, 1786−1793 (2012). https://dx.doi.org/10.1021/jp208823f
- M. Kabeláč, O. Kroutil, M. Předota, F. Lankaš and M. Šíp: “Influence of a Charged Graphene Surface on the Orientation and Conformation of Covalently Attached Oligonucleotides: A Molecular Dynamics Study”, Phys. Chem. Chem. Phys. 14, 4217–4229 (2012). https://dx.doi.org/10.1039/c2cp23540d
- D. J. Wesolowski, J. O. Sofo, A. V. Bandura, Z. Zhang, E. Mamontov, M. Předota, N. Kumar, J. D. Kubicki, P. R. C. Kent, L. Vlcek, M. L. Machesky, P. A. Fenter, P. T. Cummings, L. M. Anovitz, A. Skelton, J. Rosenqvist: “Comment on “Structure and Dynamics of Liquid Water on Rutile TiO2(110)””, Phys. Rev. B 85, 167401 (2012). https://dx.doi.org/10.1021/jp068250a
- M. Lísal, M. Předota and J. K. Brennan: “Molecular-Level Simulations of Chemical Reaction Equilibrium and Diffusion in Slit and Cylindrical Nanopores: Model Dimerization Reactions”, Mol. Sim. 39, 1103–1120, (2013). https://dx.doi.org/10.1080/08927022.2013.797576
- M. Předota, M. L. Machesky, D. J. Wesolowski, and P. T. Cummings: “Electric Double Layer at the Rutile (110) Surface. 4. Effect of Temperature and pH on the Adsorption and Dynamics of Ions”, J. Phys. Chem. C 117, 22852-22866 (2013). https://dx.doi.org/10.1021/jp407124p
- S. Parez, M. Předota, and M. Machesky: “Dielectric Properties of Water at Rutile and Graphite Surfaces: Effect of Molecular Structure”, J. Phys. Chem. C 118, 4818-4834 (2014). https:// dx.doi.org/10.1021/jp4128012
- O. Kroutil, Z. Chval, A. A. Skelton, and M. Předota: “Computer Simulations of Quartz (101)–Water Interface over a Range of pH Values”, J. Phys. Chem. C 119, 9274–9286 (2015). https://dx.doi.org/10.1021/acs.jpcc.5b00096. Supporting info .
- M. L. Machesky, M. Předota, M. K. Ridley, and D. J. Wesolowski: “Constrained Surface Complexation Modeling: Rutile in RbCl, NaCl, and NaCF3SO3 Media to 250 °C”, J. Phys. Chem. C 119, 15204–15215 (2015). https://dx.doi.org/10.1021/acs.jpcc.5b02841
- O. Kroutil, M. Předota, and Z. Chval: “Pt···H Nonclassical Interaction in Water-Dissolved Pt(II) Complexes: Coaction of Electronic Effects with Solvent-Assisted Stabilization”, Inorg. Chem. 55, 3252–3264 (2016). https://dx.doi.org/10.1021/acs.inorgchem.5b02261
- M. Předota, M. L. Machesky, D. J. Wesolowski: “Molecular Origins of the Zeta Potential”, Langmuir 32, 10189–10198 (2016). https://dx.doi.org/10.1021/acs.langmuir.6b02493 + Supporting information
- O. Kroutil, M. Předota, M. Kabeláč: “Force Field Parametrization of Hydrogenoxalate and Oxalate Anions with Scaled Charges”, J. Mol. Model. 23:327 (2017). https://dx.doi.org/10.1007/s00894-017-3490-x + Supplementary material. Free viewing of the manuscript https://rdcu.be/xOyv
- D. Biriukov, O. Kroutil, M. Předota: “Modeling of the Solid-Liquid Interface using Scaled Charges: Rutile (110) Surfaces”, Physical Chemistry Chemical Physics 20, 23954 - 23966 (2018). https://doi.org/10.1039/C8CP04535F + Supporting information
- Z. Brkljača, D. Namjesnik, J. Lützenkirchen, M. Předota, and T. Preočanin: “Quartz/Aqueous Electrolyte Solution Interface: Molecular Dynamic Simulation and Interfacial Potential Measurements”, J. Phys. Chem. C 122, 24025-24036 (2018). https:// dx.doi.org/10.1021/acs.jpcc.8b04035 + Supporting information
- D. Biriukov, O. Kroutil, M. Kabeláč, M. K. Ridley, M. L. Machesky, M. Předota: “Oxalic Acid Adsorption on Rutile: Molecular Dynamics and ab Initio Calculations”, Langmuir 35, 7617-7630 (2019). https://doi.org/10.1021/acs.langmuir.8b03984 + Supporting information
- M. L. Machesky, M. K. Ridley, D. Biriukov, O. Kroutil, M. Předota: “Oxalic Acid Adsorption on Rutile: Experiments and Surface Complexation Modeling to 150 °C”, Langmuir 35, 7631-7640 (2019). https://doi.org/10.1021/acs.langmuir.8b03982 + Supporting information (pdf, xlsx)
- A. Marchioro, M. Bischoff, C. Lütgebaucks, D. Biriukov, M. Předota and S. Roke: “Surface Characterization of Colloidal Silica Nanoparticles by Second Harmonic Scattering: Quantifying the Surface Potential and Interfacial Water Order”, J. Phys. Chem. C 123, 20393−20404 (2019). https://doi.org/10.1021/acs.jpcc.9b05482 + Supporting information
- D. Biriukov, P. Fibich, M. Předota: “Zeta Potential Determination from Molecular Simulations”, J. Phys. Chem. C 124, 3159-3170 (2020). https://doi.org/10.1021/acs.jpcc.9b11371 + Supporting Information
- M. Bischoff, D. Biriukov, M. Předota, S. Roke, A. Marchioro: “Surface Potential and Interfacial Water Order at the Amorphous TiO2 Nanoparticle/Aqueous Interface”, J. Phys. Chem. C 124, 10961-10974 (2020). https://doi.org/10.1021/acs.jpcc.0c01158 + Supporting Information
- M. Předota, D. Biriukov: “Electronic Continuum Correction without Scaled Charges”, J. Mol. Liq. 314, 113571 (2020). https://doi.org/10.1016/j.molliq.2020.113571
- O. Kroutil, S. Pezzotti, M.-P. Gaigeot, M. Předota: “Phase-Sensitive Vibrational SFG Spectra from Simple Classical Force Fields Molecular Dynamics Simulations”, J. Phys. Chem. C 124, 15253–15263 (2020). https://doi.org/10.1021/acs.jpcc.0c03576
Články v konferenčních sbornících (Papers in conference proceedings):
- D. J. Wesolowski, L. M. Anovitz, P. Benezeth, A. A. Chialvo, D. A. Palmer, P. Fenter, L. Cheng, N. C. Sturchio, Z. Zhang, M. J. Bedzyk, J. D. Kubicki, M. V. Fedkin, S. N. Lvov, D. Sykes, P. T. Cummings, M. K. Ridley, M. L. Machesky, M. Předota, and A. V. Bandura: “Temperature-effects and structure at the rutile-water interface” In: Water-Rock Interaction, pp. 775-780, (Wanty, R. B. and Seal II, R. R. Eds.) Taylor & Francis, London (2004).
- J. D. Kubicki, A. V. Bandura, M. Předota: “Density functional theory calculations and molecular dynamics simulations to investigate the mineral-water interface” In: Water-Rock Interaction, pp. 955-960, (Wanty, R. B. and Seal II, R. R. Eds.) Taylor & Francis, London (2004).
- M. Předota, M. L. Machesky, D. J. Wesolowski, and P. T. Cummings: “Hydrogen Bonding at the Rutile (110) Surface - Aqueous Interface”, Advances in Science and Technology (Faenza, Italy), 42, 581-588 (2004).
- D. J. Wesolowski, Michael L. Machesky, Moira K. Ridley, Donald A. Palmer, Zhan Zhang, Paul A. Fenter, Milan Predota, and Peter T. Cummings : “Ion Adsorption on Metal Oxide Surfaces to Hydrothermal Conditions”, ECS Trans. 11, 167-180 (2008).
- M. L. Machesky, D. J. Wesolowski, M. K. Ridley, D. A. Palmer, J. Rosenqvist, S. Lvov, M. Fedkin, M. Předota, and Lukas Vlcek: “The Protonation Behavior of Metal Oxide Surfaces to Hydrothermal Conditions” ECS Trans. 11, 151-166 (2008).
- M. Předota, D.J. Wesolowski, M.L. Machesky, P.T. Cummings: “Molecular dynamics simulations of rutile/aqueous solution interface”, Proceedings of the 13th International conference on Water-Rock Interaction Guanajuato, 815-818, (2010) Taylor & Francis Group, London, ISBN 978-0-415-60426-0 https://dx.doi.org/10.1201/b10556-13
Kapitola v knize (Book chapter):
L. Vlcek, P. Ganesh, A. Bandura, E. Mamontov, M. Predota, P. T. Cummings, D. J. Wesolowski: “Modeling Interactions of Metal Oxide Surfaces with Water”, Chapter 6, p. 217-262, in “Chemical Sensors: Simulation and Modeling, Vol. 1”, Korotcenkov G. (ed.), Momentum Press, LLC, 2012, ISBN-10: 160650309X; ISBN-13: 978-1606503096, https://dx.doi.org/10.5643/9781606503119
Učební text (Textbook):
Miroslav Šíp, Milan Předota, Zdeněk Chval: „Návody k praktickým cvičením z biofyziky“, Jihočeská univerzita, Zdravotně sociální fakulta, 2007