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Prezentace na konferencích


Presentations at international conferences:

1996

EMLG Annual Meeting, Balatonfüred, Hungary, September 8-12 (1996)
P1. Poster presentation

Liquid Matter Workshop, Strážné v Krkonoších, September 27-29 (1996)
P2. Poster presentation

1997

Annual AIChE Meeting, Los Angeles, USA, November 15-21 (1997)
P3. Poster  presentation by K.Aim

1998

Fifth Liblice Conference on the Statistical Mechanics of Liquids, Železná Ruda, June 7-12 (1998)
P4. Poster presentations

2000

Fourteenth Symposium on Thermophysical Properties, University of Colorado Boulder, Colorado USA, June 25-30 (2000)
O1. Oral presentation M. Předota, A. A. Chialvo and P. T. Cummings: “Monte Carlo simulations of polarizable model for water”

Annual AIChE Meeting, Los Angeles, USA, November 12-17 (2000)
O2. Oral presentation M. Předota, P. T. Cummings, and A. A. Chialvo: “New approximate method for efficient Monte Carlo simulations of polarizable fluids”

2001

Annual AIChE Meeting, Reno, NV, November 4-9 (2001)
O3. Oral presentation M. Předota and I. Nezbeda: “Hydrophobic hydration at the level of primitive models”
O4. Oral presentation M. Předota, A. A. Chialvo, P. T. Cummings, and D. J. Wesolowski : “Structure of Electric Double Layer in Hydrothermal Systems. Molecular Simulation and Interpretation of Experimental Results”

2002

223rd American Chemical Society Meeting, Orlando, FL, April 7-11 (2002)
O5. Oral presentation M. Předota, A. A. Chialvo and P. T. Cummings: “Molecular dynamics simulation of aqueous systems at TiO2 surfaces”
O6. Oral presentation A. A. Chialvo, M. Předota and P. T. Cummings: “Molecular-based study of the electric double layer in hydrothermal systems”

Sixth Liblice Conference on the Statistical Mechanics of Liquids, Špindlerův Mlýn, June 9-14 (2002)
P5. Poster presentation M. Předota, A. A. Chialvo and P. T. Cummings: “Molecular simulation study of the metal oxide/fluid interface in hydrothermal systems involving ab initio derived intermolecular potentials”

12th Annual VM Goldschmidt Conference, Davos, Switzerland, August 18-23 (2002)
I1. Invited talk P. T. Cummings, M. Předota, and A. A. Chialvo: “Molecular-based Study of the Electric Double Layer in Hydrothermal Systems”

Annual AIChE Meeting, Indianapolis, IN, November 3-8 (2002);
O7. Oral presentation: A. A. Chialvo, M. Předota, and P. T. Cummings: “Electric Double Layer in Hydrothermal Systems. Molecular Simulation and Experiment”
O8. Oral presentation: P. T. Cummings, M. Předota, and A. A. Chialvo: “Nanoscale Phenomena at Metal Oxide Surfaces”

2003

Thermodynamics 2003, Cambridge, UK, April 9-11 (2003);
O9 Oral presentation M. Předota, A. A. Chialvo, P. T. Cummings: “Structural characterization of aqueous electrolytes in contact with rutile surfaces by molecular dynamics”
P6. Poster presentation M. Předota, A. Ben-Naim, I. Nezbeda:  “On independence of the solvation of interaction sites of a water molecule”

77th ACS Colloid and Surface Science Symposium, Atlanta, USA, June 15-18 (2003);
O10. Oral presentation M. Předota, A. A. Chialvo, P. T. Cummings, Z. Zhang, P. Fenter, M. J. Bedzyk, and N. C. Sturchio: “Structural characterization of aqueous electrolytes in contact with rutile surfaces by molecular dynamics and X-ray scattering techniques”

2004

227th ACS National Meeting, Anaheim CA, USA, March 28 - April 1, 2004;
P7. Poster presentation: M. Předota, P. T. Cummings, D. J Wesolowski, Z. Zhang, P. Fenter, M. L. Machesky: “Electric double layer at the rutile (110) surface: Adsorption of ions from molecular dynamics and X-ray experiments”
O11. Oral presentation: M. Machesky, J. Kubicki, A. Bandura, M. Predota, D. Wesolowski, D. Palmer, P. Benezeth, and M. Ridley: “Hydrogen Bonding and Hydrolysis at the Rutile-Water Interface: Ab Initio and Molecular Dynamics Insights and Implications for Surface Complexation Modeling”

3rd International Conference on “Computational Modeling and Simulation of Materials” 2004, Acireale (CT), Sicily, Italy, May 29 - June 4, 2004;
O12. Oral presentation M. Předota, P. T. Cummings, D. J Wesolowski, Z. Zhang, P. Fenter, M. L. Machesky: “Electric double layer at the rutile (110) surface. Adsorption of ions from molecular dynamics and X-ray experiments”

11th International Symposium on Water-Rock Interaction, June 27-July 2, 2004, Saratoga Springs, USA;
O13. Oral presentation: D.J. Wesolowski, L.M. Anovitz, P. Bénézeth, 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, A.V. Bandura: “Temperature-effects and structure at the rutile-water interface”
P8. Poster presentation by co-authors: J.D. Kubicki, A.V. Bandura, M. Předota: “DFT calculations and molecular dynamics simulations on the rutile-water interface”

2005

29th International conference on solution chemistry, Portorož, Slovenia, August 21-25, 2005
O14. Oral presentation: M. Předota: “Dynamic and structural properties of inhomogeneous region at solid-liquid interface”

EMLG/JMLG Annual Meeting 2005, Prague, September 4-8, 2005
O15. Oral presentation: M. Předota: “Space-dependent diffusivity and viscosity at solid-liquid interface”

2006

Seventh Liblice Conference on the Statistical Mechanics of Liquids, Lednice, June 11-16, 2006
P9. Poster presentation M. Předota, P. T. Cummings, and D. J. Wesolowski: “Space-dependent diffusivity and viscosity at solid-liquid interfaces”

2007

Goldschmidt conference 2007, Köln, Germany, August 19-24, 2007
O16. Oral presentation: M. Předota, L. Vlček, M. L. Machesky, D. J. Wesolowski, and P. T. Cummings: „Adsorption and Dynamics of Ions at Rutile and Cassiterite Surfaces“
O17. Oral presentation: M. Machesky, M. Ridley, D. Wesolowski, D. Palmer, M. Předota, L. Vlček, J. Kubicki, J. Sofo, A. Bandura, Z. Zhang, P. Fenter: “The rutile (110)-electrolyte solution interface to 250 degrees C: A surface complexation synthesis of titration, ab initio, MD, and X-ray spectroscopic results”

2008

20th International Conference on Chemical Thermodynamics, Warsaw, Poland, August 3-8, 2008
O18. Oral presentation: M. Předota, L. Vlček, D.J. Wesolowski, and P.T.Cummings: “Properties of the Solid-Liquid Interface: Beyond the Condensed Layer”
P10. Poster presentation: M. Předota, M. L. Machesky, D. J. Wesolowski, and P. T. Cummings: “Improved Modeling of the Electric Double Layer at the Rutile (110) Surface using High Temperature Data”

International Symposium on Surface Science and Nanotechnology, International Conference Center,  Waseda University, Tokyo
Japan, November 9-13, 2008

O19. Oral presentation: M. Předota, L. Vlček, P. T. Cummings, and D. J. Wesolowski: “Theories of the solid-liquid interface challenged by molecular dynamics”
P11. Poster presentation: M. Předota, M. L. Machesky, P. T. Cummings, and D. J. Wesolowski: “Improved Modeling of the Electric Double Layer at the Rutile (110) Surface using High Temperature Data”

2009

7th Discussions in Structural Molecular Biology, Nové Hrady, March 12-14, 2009
P12. Poster presentation: M. Předota: “Molecular dynamics simulations of water and ions interacting with rutile surfaces”

24th ESAT (European Symposium on Applied Thermodynamics), Santiago de Compostela, Spain, June 27-July 1, 2009
O20. Oral presentation: M. Předota, D. J. Wesolowski, and P. T. Cummings: “Molecular simulations of electrokinetic phenomena
at solid-liquid interface”

19th Annual VM Goldschmidt Conference, Davos, Switzerland, June 21 - 26, 2009
O21. Oral presentation: D. J. Wesolowski, A. V. Bandura, P. T. Cummings, P. A. Fenter, J. D. Kubicki, S. N. Lvov, M. L.  Machesky, E. Mamontov, M. Předota, M. K. Ridley, J. Rosenqvist, J. O.  Sofo, L. Vlcek, Z. Zhang: “Atomistic origins of mineral-water interfacial phenomena and their relation to surface complexation models”

Liquid Matter Workshop 2009, Tábor, October 22 - 24, 2009
O22. Oral presentation: M. Předota: “Spherical particles: from point particles to flat surfaces”

Mini-symposium on computation of interactions in biological systems, Nové Hrady, December 12–13, 2009
O23. Oral presentation: M. Předota: “Computer simulations of ions and biomolecules interacting with mineral surfaces”.

2010

12th International Conference on Properties and Phase Equilibria for Product and Process Design, PPEPPD 2010, Suzhou, Jiangsu, China, May 16-21, 2010
P13. Poster presentation: M. Lísal, M. Předota, and K. Aim: “Chemical Reaction Equilibrium and Space-Dependent Self-Diffusion for Dimerization Reactions in Carbon-Like Slit and Cylindrical Nanopores: Insight from Molecular-Level Simulations”

Eighth Liblice Conference on the Statistical Mechanics of Liquids, Brno, June 13-18, 2010
P14. Poster presentation: M. Předota, S. Pařez, M. L. Machesky, D. J. Wesolowski and P. T. Cummings: “Non-equilibrium molecular simulations of the solid-liquid interface

Goldschmidt 2010 conference, Knoxville, Tennessee, USA, June 13 - 18, 2010
O24. Oral presentation: M. L. Machesky, M. Předota, L. Vlček, J. Rosenqvist, A. Skelton, P. T. Cummings, M. K. Ridley, J. D. Kubicki, J. O. Sofo, N. Kumar, A.V. Bandura and D. J.  Wesolowski: “Towards an accurate prediction of surface protonation equilibria: Quantifying interfacial structure via the bond valence-MUSIC model framework”
O25. Oral presentation: D. J. Wesolowski, M. L. Machesky, S. N. Lvov, M. Předota, M. K. Ridley and P. T. Cummings: “On the temperature dependence of mineral surface protonation and ion adsorption reactions”
P15. Poster presentation: M. Předota, D. J. Wesolowski, M. L. Machesky and P. T. Cummings: “Molecular simulations of electrokinetic phenomena at the solid-liquid interface”

13th Water-rock interaction conference, WRI-13, Guanajuato, México, Aug 16-20, 2010
O26. Oral presentation: M. Předota, D.J. Wesolowski, M.L. Machesky, P.T. Cummings: “Molecular Dynamics Simulations of Rutile/Aqueous Solution Interface”

24th Conference of the European Colloid and Interface Society, ECIS 2010, Prague, Sep 5–10, 2010
P16. Poster presentation: S. Pařez, M. Předota and M. Lísal: “Molecular simulations of viscosity of confined fluids”

2010 AIChE Annual Meeting, Salt Lake City, UT, USA, November 7-12, 2010
P17. Poster presentation: A. A. Skelton, J. D. Kubicki, P. Fenter, Z. Chval, M. Předota, P. T. Cummings: “Modeling the Quartz/Water Interface: Testing Existing Force Fields and Development of a New ClayFF Based Force Field for Describing Negatively Charged Surfaces”

2011

Goldschmidt 2011 conference, Prague, August 14-19, 2011
O27. Oral presentation: M. Předota, M. L. Machesky, D. J. Wesolowski and P. T. Cummings: “Electrokinetic properties of the rutile/water interface: Zeta-potential prediction from computer simulations”
O28. Oral presentation: M. Machesky, D. Wesolowski, L. Vlcek, E. Mamontov, P. Kent, M. Předota, J. Rosenqvist, M. Ridley, P. Cummings, J. Kubicki, J. Sofo, N. Kumar, S. Lvov, A. Bandura, P. Fenter & Z. Zhang: “Influence of Interfacial Water Structure on Surface Protonation and Ion Adsorption at Metal Oxide Surfaces”

32nd International Conference on Solution Chemistry, La Grande Motte, France, Aug 28-Sep 02, 2011
P18. Poster presentation: S. Pařez and M. Předota: “Determination of Distance-dependent Viscosity of Mixtures in Parallel Slabs using Non-equilibrium Molecular Dynamics”
P19. Poster presentation: M. Předota, S. Pařez, and M. L. Machesky: “Molecular simulations of electrokinetic phenomena at the solid-liquid interface”

International conference on Modeling Interaction in Biomolecules, Kutná Hora, September 4-9, 2011
P20. Poster presentation: O. Kroutil, M. Šíp, M. Předota, Z. Chval, M. Kabeláč: “Behavior of the DNA Oligonucleotide Probe Attached to Mineral Surface”

1st Visegrad Symposium on Structural Systems Biology, Nové Hrady, November 29th-December 2nd, 2011
I2. Invited talk: M. Předota, O. Kroutil, Z. Chval, B. Minofar: “Interaction of organic matter with silica surfaces”

2012

X Discussions in Structural Molecular Biology, Nové Hrady, March 22-24, 2012
P21. Poster presentation: O. Kroutil, Z. Chval, H. Barvíková and M. Předota: “Behavior of Water, Ions and Small Organic Molecules Near Quartz (101) Surfaces”

Goldschmidt 2012, Montréal, Canada, June 24-29, 2012
O29. Oral presentation: D. J. Wesolowski, M. L. Machesky, M. K. Ridley and M. Předota:  “Temperature, charge and radius dependence of multivalent cation adsorption on rutile (TiO2) in aqueous 1:1 electrolytes”
O30. Oral presentation: M. L. Machesky, M. Předota, M. Ridley, D. Wesolowski: “Surface complexation modeling of Na+ and Rb+ adsorption by rutile to 250°C”

EMLG/JMLG Annual Meeting 2012, Eger, Hungary, 5-9 September 2012
O31. Oral presentation: M. Předota, H. Hanke and S. Pařez: “Molecular Dynamics determination of the dynamic properties of the solid–liquid interface”

P22. Poster presentation: M. Předota, M. L. Machesky and D. J. Wesolowski: “Electrokinetic properties of the rutile/water interface: Zeta-potential prediction from computer simulations”
P23. Poster presentation: S. Pařez and M. Předota: “Determination of Distance-dependent Viscosity of Mixtures in Parallel Slabs using Non-equilibrium Molecular Dynamics”

X Girona Seminar on Theoretical and Computational Chemistry for the Modeling of Biochemical Systems: From Theory to Applications, Girona, Spain, 2-5 July 2012
P24. Poster presentation: O. Kroutil, M. Předota and Z. Chval: “Behavior of Nucleobases near Quartz (101) Surfaces”

2013

XI Discussions in Structural Molecular Biology, Nové Hrady, March 14 - 16, 2013
P25: H. Barvíková, M. Předota, O. Kroutil, Z. Chval and B. Minofar: “Computational Study of Interactions of Organic Matter and Biomolecules with Mineral Surfaces”

245th ACS National Meeting & Exposition, New Orleans, Louisiana, April 7-11, 2013
O32. Oral presentation: D.J. Wesolowski, H.-W. Wang, W. Wang, E. Mamontov, L. Vlcek, P.R. Kent, G. Rother, J.L. Banuelos, T. Proffen, A.I. Kolesnikov, J.O. Sofo, N. Kumar, M.L. Machesky, M. Předota, Peter T. Cummings: “Structure and dynamics of the first few layers of water on rutile-structured TiO2 and SnO2 (110) surfaces of bulk crystals and nanoparticles: Progress and controversy”
O33. Oral presentation: P. T. Cummings, L. Vlcek, G. Rother, D. J. Wesolowski, A. A. Skelton, M. Předota, M. Machesky, S. Hlusak and M.-J. Wei: “Integrated Computational and Experimental Studies of Mineral/Aqueous Interfaces”

Goldschmidt 2013 conference, Florence, Italy, August 25-30, 2013
I3. Invited talk: M. Předota, O. Kroutil, Z. Chval, S. Pařez: “Computational Study of Rutile and Quartz Interfaces with Aqueous Solutions”

2014

247th ACS National Meeting & Exposition, March 16-20, 2014, Dallas, Texas
O34. Oral presentation: S. Parez, M. Předota, M. Machesky: The effect of solvent structure on the dielectric properties of water at the rutile (110) surface

Ninth Liblice Conference on the Statistical Mechanics of Liquids, Seč, June 15-20, 2014
P26. Poster presentation M. Předota, M. L. Machesky and D. J. Wesolowski: Electrokinetic properties of the rutile/water interface: Zeta-potential prediction from computer simulations

Modeling Interactions in Biomolecules VI, Mariánské Lázně 16.-19. 9. 2013
P27. O.Kroutil, M. Předota, Z. Chval: "Solvation of the Square Planar Platinum(II) Complexes: Ab-initio MD Study"

Watoc 2014, Santiago de Chile, Chile, October 5-10, 2014
P28.Poster presentation Ondřej Kroutil, Milan Předota and Zdeněk Chval: "Structural and Dynamic Properties of the Water Hydration Shell of the Square Planar Platinum(II) Complexes: Ab-initio Molecular Dynamics Study"

2015

249th ACS National Meeting and Exposition, Denver, CO, USA, March 22-26, 2015
O35: Oral presentation: James D. Kubicki, Mark DelloStritto, Jorge Sofo, Mark Fedkin, Adri Van Duin, Ariel Chialvo, Lukas Vlcek, David J. Wesolowski, Ondrej Kroutil, Milan Predota, Paul Fenter, Franz Geiger, Sarah Saslow Gomez, Andrei V. Bandura: "DFT-MD simulations of the quartz (101)-water interface as a function of pH, ionic strength, salt type and temperature: Implications for dissolution mechanisms"

Goldschmidt 2015 conference, Prague, August 16-21, 2015
I4. Invited talk: Ondřej Kroutil, Zdeněk Chval, Adam Skelton, Milan Předota: "Computer Simulations of Quartz (101)-Water Interface over a Range of pH Values"

2016

Liquid/Solid interfaces: Structure and dynamics from spectroscopy and simulations - 3rd edition, Lausanne, Switzerland, January 25 - 27, 2016
P29: Poster presentation: M. Předota, M. L. Machesky, D. J. Wesolowski: "Prediction of zeta-potential from molecular dynamics simulations of electroosmosis"
P30: Poster presentation: O. Kroutil, M. Předota and M. Kabeláč: "
Effect of electric field on protein dynamics on mercury surface"
P31: Poster presentation: B. Minofar, M. Předota and M. Kabeláč: "Polyaromatic Aromatic Hydrocarbons (PAHs) and Graphene oxide (GO) at Soft Surfaces"

9th International Conference on Interfaces against Pollution (IAP), Lleida, Spain, September 4-7, 2016
O35: Oral presentation: M. Předota, M. L. Machesky, D. J. Wesolowski: "The molecular origin of zeta-potentials as revealed by non-equilibrium molecular dynamics simulations of a realistic mineral-aqueous solution interface"

2017

253rd American Chemical Society National Meeting & Exposition, San Francisco, California, April 2-6, 2017
I5: Invited talk: M. Předota, M. L. Machesky, D. J. Wesolowski: “Molecular origins of the zeta potential”
P32: Poster presentation: D. Biriukov, M. Předota, O. Kroutil, J. Rosenqvist, C. M. Jonsson: “Impact of organic molecules on the colloidal stability of silica nanoparticles – simulations and experiments”
P33: Poster presentation: D. Biriukov, M. Předota, O. Kroutil, M. Ridley, M. Machesky: “Adsorption of oxalic acid on rutile surfaces”

7th Visegrad Symposium on Structural System Biology, Nové Hrady, June 21 - 24, 2017
O36: D. Biriukov, M. Předota: "Adsorption of oxalic acid on rutile surface"