Publikace


Milan Předota - publikace (publications)

1383 citací/citations, h-index 18 (3/2020, bez autocitací/without autocitations).

www.researchgate.net/profile/Milan_Predota  researcherid.com/rid/A-2256-2009
 orcid.org/0000-0003-3902-0992                        publons.com/a/1301531/

Impaktované články (Papers):

  1. 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
  2. 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
  3. 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
  4. 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
  5. 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
  6. 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
  7. 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
  8. 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
  9. 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
  10. 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
  11. 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
  12. 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
  13. 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
  14. 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
  15. 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
  16. 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
  17. 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
  18. 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
  19. 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
  20. 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
  21. 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
  22. 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
  23. 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
  24. 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
  25. 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
  26. 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
  27. 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
  28. 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
  29. 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
  30. 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
  31. 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 .
  32. 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
  33. 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
  34. 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
  35. 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
  36. 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
  37. 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
  38. 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
  39. 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)
  40. 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
  41. 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
  42. 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
  43. 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
  44. 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
  45. N. Rampal, H.-W. Wang, D. Biriukov, A. B. Brady, J. C. Neuefeind, M. Předota, A.G. Stack: “Local molecular environment drives speciation and reactivity of ion complexes in concentrated salt solution”, J. Mol. Liq. (2021). https://doi.org/10.1016/j.molliq.2021.116898 (open access)
  46. O. Kroutil, V. D. Nguyen, J. Volánek, A. Kučera, M. Předota, V. Vranová: “Clinoptilolite/electrolyte Interface Probed by a Classical Molecular Dynamics Simulations and Batch Adsorption experiments”, Microporous and Mesoporous Materials (2021), https://doi.org/10.1016/j.micromeso.2021.111406

Články v konferenčních sbornících (Papers in conference proceedings):

  1. 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).
  2. 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).
  3. 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).
  4. 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).
  5. 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).
  6. 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