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Miroslav Pospíšil

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Teaching:

NBCM100

Computational Experiments in Molecular Theory I

NBCM125

Computational Experiments in Molecular Theory II

NBCM055

Molecular Simulations in Chemical Physics

NBCM098

X-ray Structure Analysis of Biomolecules and Macromolecules

NFOE021

Exercises in Physics


Monograph:

  1. Čapková P., Pospíšil M., Zeman S., Vávra P.: Characterization of explosive materials using molecular dynamics simulations, Energetic Materials, Part 1. Decomposition, Crystal and Molecular Properties, Editor P. A. Politzer, J. S. Murray, Amsterdam, Elsevier, 2003, 49-60, ISBN: 0-444-51518-6.

Publications in Jurnals:

  1. Čapková, P., Pospíšil, M., Miehé-Brendlé, J., Trchová, M., Weiss, Z., Le Dred, R.: Montmorillonite and Beidellite Intercalated with Tetramethylammonium Cations,
    Journal of Molecular Modeling, 2000, 6, 600-607.

  2. Pospíšil, M., Čapková, P., Weiss, Z., Chmielová, M.: Study of Organically Modified Clays; Molecular Modelling and Experiment,
    Acta Universitatis Carolinae – Geologica, 2000, 44, 143-146.

  3. Pospíšil, M., Čapková, P., Měřínská, D., Maláč, Z., Šimoník, J.: Structure Analysis of Montmorillonite Intercalated with Cetylpyridinium and Cetyltrimethylammonium: Molecular Simulations and XRD Analysis,
    Journal of Colloid and Interface Science, 2001, 236, 127-131.

  4. Pospíšil, M., Čapková, P., Weiss, Z., Maláč, Z., Šimoník, J.: Intercalation of Octadecylamine into Montmorillonite; Molecular Simulations and XRD Analysis,
    Journal of Colloid and Interface Science, 2002, 245, 126-132.

  5. Čapková, P., Pospíšil, M., Lerf, A.: Molecular Simulations in Structure Analysis of Tantalum Sulfide Intercalated with Methylene Blue,
    Solid State Sciences, 2002, 4, 671-676 (Issue 5).

  6. Měřínská, D., Maláč, Z., Pospíšil, M., Weiss, Z., Chmielová, M., Čapková, P., Šimoník, J.: Polymer/Clay Nanocomposites Based on MMT/ODA Intercalates,
    Composite Interface, 2002, 9, 529-541 (No. 6).

  7. Pospíšil, M., Čapková, P., Weissmannová, H., Klika, Z., Trchová, M., Chmielová, M., Weiss, Z.: Structure Analysis of Montmorillonite Intercalated with Rhodamine B; Modelling and Experiment,
    Journal of Molecular Modeling, 2003, 9, 39-46, DOI 10.1007/s00894-002-0107-8.

  8. Čapková, P., Pospíšil, M., Weiss, Z.: Combination of Modeling and Experiment in Structure Analysis of Intercalated Layer Silicates,
    Journal of Molecular Modeling, 2003, 9, 195-205, DOI 10.1007/s00894-002-0106-9.

  9. Weiss, Z., Valášková, M., Křístková, M., Čapková, P., Pospíšil, M.: Intercalation and Grafting of Vermiculite with Octadecylamine Using Low-Temperature Melting,
    Clays and Clay Minerals, 2003, 51, No. 5, 555-565, DOI 10.1346/CCMN.2003.0510509.

  10. Klika, Z., Weissmannová, H., Čapková, P., Pospíšil, M.: The rhodamine B intercalation of montmorillonite,
    Journal of Colloid and Interface Science, 2004, 275, 243-250, DOI 10.1016/j.jcis.2004.02.040.

  11. Čapková, P., Malý, P., Pospíšil, M., Klika, Z., Weissmannová, H., Weiss, Z.: Effect of Surface and Interlayer Structure on the Fluorescence of Rhodamine B-Montmorillonite: Modeling and Experiment,
    Journal of Colloid and Interface Science, 2004, 277, 128-137, DOI 10.1016/j.jcis.2004.03.035.

  12. Pospíšil, M., Kalendová, A., Čapková, P., Šimoník, J., Valášková, M.: Structure Analysis of Intercalated Layer Silicates, Combination of Molecular Simulations and Experiment,
    Journal of Colloid and Interface Science, 2004, 277, 154-161, DOI 10.1016/j.jcis.2004.04.025.

  13. Kalendová, A., Pospíšil, M., Kovářová, L., Měřínská, D., Valášková, M., Vlková, H., Šimoník, J., Čapková, P.: Influence of chain length on intercalation process of polyvinylchloride/clay nanocomposites based on alkyl-amine.,
    Plastics, Rubbers and Composites, 2004, 33, no. 7, 279-285. DOI 10.1179/174328904X19967.

  14. Čapková, P., Pospíšil, M., Valášková, M., Měřínská, D., Trchová, M., Sedláková, Z., Weiss, Z., Šimoník, J.: Structure of montmorillonite cointercalated with stearic acid and octadecylamine: modeling, diffraction, IR spectroscopy.,
    Journal of Colloid and Interface Science, 2006, 300, 264-269. DOI 10.1016/j.jcis.2006.03.033.

  15. Pospíšil, M., Vávra, P.: Electron Density, Bond Length and Selected Properties of CHNO Explosives.,
    Scientific Papers of the University Pardubice, Series A, 2006, 12, 109-117.

  16. Klika, Z., Čapková, P., Horáková, P., Valášková, M., Malý, P., Macháň, R., Pospíšil, M.: Composition, structure, and luminescence of montmorillonites saturated with different aggregates of methylene blue.,
    Journal of Colloid and Interface Science, 2007, 311, 14-23. DOI:10.1016/j.jcis.2007.02.034

  17. Kovář, P., Pospíšil, M., Nocchetti, M., Čapková, P., Melánová, K.: Molecular Modeling of Layered Double Hydroxide Intercalated with Benzoate, Modeling and Experiment.,
    Journal of Molecular Modeling, 2007, 13, 937-942. DOI 10.1007/s00894-007-0217-4

  18. Pospíšil, M., Vávra, P.: Performance, Sensitivity and Non-covalent Hydrogen Bonds of Explosives.,
    Central European Journal of Energetic Materials, 2007, 4(3), 25-32.

  19. Veteška, M., Pospíšil, M., Melánová, K., Beneš, L., Zima. V. "Structure Analysis of Hydrotalcite Intercalated with Pyrenetetrasulfonate; Experiment and Molecular Modeling"
    Journal of Molecular Modeling, 2008, 14, 1119-1129.

  20. Praus, P., Pospíšil, M., "Adsorption of the Cationic Surfactants on Montmorillonite"
    Material Structure, 2008, 15 (no. 1), 32-37.

  21. Veteška, M., Pospíšil, M. "Molecular Simulations of Hydrotalcite Intercalated with Pyrenetetrasulfonate"
    Material Structure, 2008, 15, (no. 1), 24-27.

  22. Kovář P., Pospíšil M., Malý P., Klika Z., Čapková P., Horáková P., Valášková M. "Molecular modeling of surface modification of Wyoming and Cheto montmorillonite by methylene blue"
    Journal of Molecular Modeling, 2009, 15, 1391-1396, DOI 10.1007/s00894-009-0507-0.

  23. Klika, Z., Pustková, P., Praus, P., Kovář, P., Pospíšil, M., Malý, P., Grygar, T., Kulhánková, L., Čapková., P. "Fluorescence of reduced charge montmorillonite complexes with methylene blue: Experiments and molecular modeling",
    Journal of Colloid and Interface Science, 2009, 339, 416-423, DOI 10.1016/j.jcis.2009.07.062

  24. Kovář P., Pospíšil, M., Káfuňková, E., Lang, K., Kovanda F., "Mg-Al layered double hydroxides intercalated with porphyrin anions: molecular simulations and experiments",
    Journal of Molecular Modeling, 2010, 16, 223-233, DOI 10.1007/s00894-009-0537-7.

  25. Pospíšil, M., Vávra, P., Concha, M.C., Murray, J.S., Politzer, P. "A possible crystal volume factor in the impact sensitivities of some energetic compounds",
    Journal of Molecular Modeling, 2010, 16, 895-901, DOI 10.1007/s00894-009-0587-x

  26. Káfuňková, E., Taviot-Guého, C., Bezdička, P., Klementová, M., Kovář, P., Kubát, P., Mosinger, J., Pospíšil, M., Lang, K. "Porphyrins Intercalated in Zn/Al and Mg/Al Layered Double Hydroxides: Properties and Structural Arrangement" Chemistry of Materials, 2010, 22, 2481-2490, DOI: 10.1021/cm903125v.

  27. Demel, J., Kubát, P., Jirka, I., Kovář, P., Pospíšil, M., Lang, K. "Inorganic-Organic Hybrid Materials: Layered Zinc Hydroxide Salts with Intercalated Porphyrin Sensitizers" J. Phys. Chem. C, 2010, 114, No. 39, 16321-16328, DOI: 10.1021/jp106116n

  28. Pospíšil, M., Vávra, P., Concha, M.C., Murray, J.S., Politzer, P. "Sensitivity and the available free space per molecule in the unit cell",
    Journal of Molecular Modeling, 2011, 17, 2569-2574, DOI 10.1007/s00894-010-0953-8.

  29. Praus, P., Veteška, M., Pospíšil, M. "Adsorption of Phenol and Aniline on Natural and Organically Modified Montmorillonite: Experiment and Molecular Modelling",
    Molecular Simulations, 2011, 37, no 11, 964-974, DOI 10.1080/08927022.2011.582106.

  30. Pospíšil, M., Kovář, P., Vácha, R., Svoboda, M. "Study of the betulin molecule in a water environment; ab initio and molecular simulation calculations",
    Journal of Molecular Modeling, 2012, 18, 367-376, DOI 10.1007/s00894-011-1055-y



Publications in Proceedings:

  1. Pospíšil, M., Čapková, P.: Molecular Simulations in Structure Analysis of Intercalated Layered Silicates
    WDS 00 – Proceedings of contributed papers, Conference: Week of doctoral students, June 2000, Part III, p. 407-411, Ed. J. Šafránková, MATFYZPRESS, Prague 2000.

  2. Pospíšil, M., Čapková, P.: Intercalation of Organic Molecules into Phyllosilicates and TaS2,
    Materials Structure, 2001, 8, no. 1a, 50-52.

  3. Měřínská, D., Maláč, Z., Hrnčiřík, J., Šimoník, J., Trlica, J., Pospíšil, M., Čapková, P., Weiss, Z.: Modification of Clay Intercalate Structure and Properties of TPO Based Nanocomposites,
    Proceedings of the Society of Plastics Engineers Annual, ANTEC2001 Plastic: The Lone Star, Volume 2: Materials, Dallas, May 2001, 2166-2170.

  4. Vávra P., Pospíšil M., Repáková J.: Effect of intermolecular forces on some properties of explosives,
    Proceedings of the 5th Seminar “New Trends in Research of Energetic Materials”, University of Pardubice, Czech Republic, 30th March 2002, 357-368.

  5. Pospíšil, M., Čapková P., Trchová M., Chmielová M., Weismannová H., Klika Z., Weiss Z.: Strukturní analýza interkalovaných silikátů s využitím modelování a práškové difrakce,
    Materials Structure, 2002, 9, no. 1a, 54-55.

  6. Pospíšil M., Čapková P., Vávra P., Zeman S.: Classical Molecular Dynamics Simulations of RDX Decomposition under High Pressure,
    Proceedings of the 6th Seminar “New Trends in Research of Energetic Materials”, University of Pardubice, Czech Republic, 21st March 2003, 275-284.

  7. Vávra P., Pospíšil M.: Effect of Intermolecular Forces on Some Properties of Explosives II. Influence of Non-covalent Hydrogen Bond,
    Proceedings of the 6th Seminar “New Trends in Research of Energetic Materials”, University of Pardubice, Czech Republic, 21st March 2003, 473-481.

  8. Čapková P., Repáková J., Koudelka B., Pospíšil M., Trchová M., Weiss Z., Zima V., Ilavský M.: Combination of modeling and experiment in analysis of partially disordered structures,
    Materials structure in Chemistry, Biology, Physics and Technology, Czech Republic, 2003, vol. 10, number 1a, 61-64.

  9. M. Pospíšil, P. Vávra: „Study of Electron Density of Molecules, Intermolecular Forces and Impact Sensitivity of Explosives,
    Proceedings of the 7th Seminar „New Trends in Research of Energetic Materials“, Editor J. Vágenknecht, University of Pardubice, Czech Republic, 2004, 600-605, ISBN part II. 80-7194-652-4.

  10. Čapková P., Pospíšil M., Weiss Z., Šimoník J., Schenk H.: Powder diffraction and molecular modeling in nano-materials design,
    Materials structure in Chemistry, Biology, Physics and Technology, Czech Republic, 2004, vol. 11, number 1a, 56-57.

  11. Pospíšil M., Vávra, P.: Decomposition of Energetic Materials Investigated by Molecular Simulations: HNIW, TNA,
    Proceedings of the 8th Seminar „New Trends in Research of Energetic Materials, Editor J. Vágenknecht, University of Pardubice, Czech Republic, 2005, pp. 302-311, ISBN part I. 80-7194-758-X.

  12. Pospíšil M., Vávra, P.: Crystal Structures of Selected Energetic Materials Calculated by Molecular Simulations,
    Proceedings of the 9th Seminar „New Trends in Research of Energetic Materials, Editor Jan Ottis, Miloslav Krupka, University of Pardubice, Czech Republic, 2006, pp. 712-718, ISBN 80-7194-849-7.

  13. Pospíšil M., Vávra, P.: Crystal Structures of Energetic Materials Calculated by Molecular Simulations,
    NTREM`07 Proceedings of the 10th Seminar „New Trends in Research of Energetic Materials, Editor Jan Ottis, Miloslav Krupka, University of Pardubice, Czech Republic, 2007, pp. 273-285, ISBN 978-80-7194-949-7.

  14. Pospíšil, M. Vávra P. "A molecular mechanic study of some factors causing high density of nitro compounds", NTREM`10 Proceedings of the 13th Seminar "New Trends in Research of Energetic Materials", Editors Jakub Selešovský, Jiří Pachmáň, Robert Matyáš, University of Pardubice, Czech Republic, April 2010, pp. 630-634, ISBN 978-80-7395-249-5.

  15. Pospíšil M., Kovář P., Malý P., Pustková P., Klika Z., Valášková M., Čapková P. "Molekulární modelování methylenové modře na povrchu montmorillonitu", Informátor, 2010, 43, 12.

  16. Kovář P., Pospíšil, M., Lang K. "Molekulární modelování Zn2-Al podvojného vrstevnatého hydroxidu interkalovaného anionty porfyrinu.", Informátor, 2010, 43, 6-7.

  17. Pospíšil M., Veteška M., Kovář P. "Structure analysis by molecular simulation techniques. Calculated structures of layered silicates", Material Structure, 2010, 17, No2a, k65-k67.

  18. Pospíšil, M., Vávra, P. "Calculated crystal structure of 4,4’-dinitro-3,3’- diazenofuroxan", NTREM`11 Proceedings of the 14th Seminar "New Trends in Research of Energetic Materials" Editors Jakub Selešovský, Jiří Pachmáň, Robert Matyáš, University of Pardubice, Czech Republic, April 2011, pp. 900-908. ISBN 978-80-7395-390-4.

Conferences:

  1. 9th Annual Conference of Doctoral Students - WDS'00, Prague, 13.6. – 16.6.2000. OC in English – „Molecular Simulations in Structure Analysis of Intercalated Layered Silicates“, Pospíšil, M., Čapková, P.

  2. 16th Conference on Clay Mineralogy and Petrology, Karlovy Vary 27.8.-31.8.2000. OC in English - „Molecular Simulations of Organically Modified Layered Silicates”, Pospíšil, M., Čapková, P., Weiss, Z., Chmielová, M.

  3. 10th Annual Conference of Doctoral Students – WDS’01, Prague, 12.6-15.6.2001. OC in English – “Intercalation of Organic Molecules into Phyllosilicates and TaS2”, Pospíšil, M., Čapková, P.

  4. Kolokvium STRUKTURA' 2001, Krystalografická společnost, Odborná skupina chémie a fyziky tuhých látok, Regionální komitét IUCr, Bedřichov, 18.6-22.6.2001. OC in Czech – “Intercalation of Organic Molecules into Phyllosilicates and TaS2”, Pospíšil, M., Čapková, P.

  5. MID - EUROPEAN CLAY CONFERENCE '01, Stará Lesná, Slovakia, 9.9.-14.9. 2001. OC in English – “Intercalation of Organic Molecules into Phyllosilicates Based on Ion-exchange and Ion-dipole Interaction”, Pospíšil, M., Čapková, P., Weiss, Z., Miehé-Brendlé, J., Maláč, Z., Šimoník, J.

  6. Europen Crystallographic Meeting, Kraków, Poland, 25.8.-31.8.2001. OC in English – “Computer Simulation of Intercalates and Disordered Molecular Crystals”, Čapková, P., Koudelka, B., Pospíšil, M., Schenk, H.

  7. 5th Seminar “New Trends in Research of Energetic Materials”, Pardubice, Czech Republic, 24.4.–25.4.2002. OC in English – “Characterization of Explosive Materials Using Molecular Dynamics Simulations”, Pospíšil M., Čapková P., Vávra P., Zeman S.

  8. 5th Seminar “New Trends in Research of Energetic Materials”, Pardubice, Czech Republic, 24.4.–25.4.2002. PC in English – “Effect of Intermolecular Forces on Some Properties of Explosives”, Vávra P., Pospíšil M., Repáková J.

  9. 30. kolokvium Krystalografické společnosti „Experimentální metody v rtg a neutronové strukturní analýze“, Ostravice, Czech Republic, 17.6. - 21.6.2002. PC in English - ”Structure Analysis of Intercalated Phyllosilicates with Using Molecular Simulations and Powder Diffraction. ”, Pospíšil M., Čapková P., Trchová M., Chmielová M., Weissmannová H., Klika Z., Weiss Z.

  10. 4th International Conference on Polymer-Solvent Complexes and Intercalates, Prague, Czech Republic, 22.7. - 25.7.2002. PC in English – “Intercalated Phyllosilicates; Precursors for Polymer-Clay Nanocomposites.“, Pospíšil M., Čapková P., Weiss Z., Chmielová M., Kalendová A., Šimoník J.

  11. 14. Konference českých a slovenských fyziků, Plzeň, 9.9.-12.9.2002. OC in English - „Intercalation of Organic Molecules into Phyllosilicates Based on Ion-Exchange and Ion-Dipole Interaction“, Pospíšil M., Čapková P., Weiss Z., Miehé-Brendlé J., Maláč Z., Šimoník J., Měřínská D., Trchová M., Le Dred R.

  12. 6th Seminar “New Trends in Research of Energetic Materials”, Pardubice, Czech Republic, 22.4.–24.4.2003. OC in English - ”Classical Molecular Dynamics Simulations of RDX Decomposition under High Pressure”, Pospíšil M., Čapková P., Vávra P., Zeman S.

  13. 6th Seminar “New Trends in Research of Energetic Materials”, Pardubice, Czech Republic, 22.4.–24.4.2003. PC in English - “Effect of Intermolecular Forces on Some Properties of Explosives II. Influence of Non-covalent Hydrogen Bond”, Vávra P., Pospíšil M.

  14. 10th Conference of the European Clay Groups Association – EUROCLAY 2003, Modena, Italy, 22-26 June 2003. OC in English - “Preparation, Structure and Optical Properties of Montmorillonite Intercalated with Rhodamine B”, Pospíšil M., Malý P., Weissmannová H., Čapková P., Klika Z., Weiss Z., Trchová M.

  15. 7th Seminar “New Trends in Research of Energetic Materials”, Pardubice, Czech Republic, 20.4.–22.4.2004. PC in English - „Study of Electron Density of Molecules, Intermolecular Forces and Impact Sensitivity of Explosives“, Pospíšil M., Vávra P.

  16. IX. European Powder Diffraction Conference, Prague, Czech Republic, 2-5 September 2004. OC - „Powder Diffraction and Molecular Modeling in Nano-Materials Design, Čapková, P., Pospíšil M., Weiss, Z., Šimoník, J., Schenk, H.

  17. XVII. Conference on Clay Mineralogy and Petrology, Prague, Czech Republic, 13-17 September 2004. OC in English – „Intercalated Layer Silicates in Design of Clay-Polymer Nanocomposites“, Pospíšil M., Čapková P., Valášková M., Weiss Z., Měřínská D., Kalendová A., Šimoník J.

  18. International Workshop on Current Knowledge on the Layer Charge of Clay Mineral LCCM’04, Smolenice Castle, Slovakia, 18-19 September 2004. PC in English – “Effect of Silicate Layer Charge on the Charge Distribution in Intercalated Organic Molecules“, Pospíšil M., Čapková P.

  19. 2nd Mid-European Clay Conference, Miskolc, Hungary, 20-24 September 2004. OC in English – „Molecular Simulations of Montmorillonite Intercalated with Rhodamine B: Interlayer and Surface Structure and Fluorescence Properties”, Pospíšil M., Čapková P., Malý P., Weissmannová H., Klika Z., Valášková M., Weiss Z.

  20. 8th Seminar “New Trends in Research of Energetic Materials”, Pardubice, Czech Republic, 19.4.–21.4.2005. OC in English - „Decomposition of Energetic Materials Investigated by Molecular Simulations: HNIW, TNA“, Pospíšil M., Vávra P.

  21. Struktura 2005, Kolokvium Krystalografické společnosti, Třešť, Czech Republic, 20.6.-23.6.2005. PC in English - „Structure of Montmorillonite Co-intercalated with Octadecylamine and Stearic Acid“, Pospíšil M., Čapková P.

  22. The 13th International Clay Conference – Claysphere: past, present and future and 49th Annual Meeting of the Clay Science Society of Japan, Waseda University, Tokyo, Japan, 21.8.-27.8.2005. OC in English - „Interlayer and Surface Structure of Montmorillonite Cointercalated with Octadecylamine and Dioctylphthalate: Combination of Molecular Simulations and Experiment“, Pospíšil M., Čapková P., Kalendová A., Valášková M., Trchová M., Šimoník J., Weiss Z.

  23. 9th Seminar "New Trends in Research of Energetic Materials", Pardubice, Czech Republic, 19.4.-21.4.2006. Poster contribution in English - "Crystal Structures of Selected Energetic Materials Calculated by Molecular Simulations", Pospíšil M., Vávra P, Kovář P.

  24. MAM-06, 3rd IUPAC-sponsored international Symposium on Macro- and Supramolecular Architectures and Materials (MAM-06): Practical Nano-Chemistry and Novel Approaches, 28 May - 1 June 2006, Waseda, Tokyo, Japan. Poster contribution in English - "Polymer/clay nanocomposites", Pospíšil M., Čapková P., Weiss Z., Valášková M., Kalendová A., Měřínská D, Šimoník J.

  25. Kolokvium Krystalografické společnosti, Grenoble, Francie, 20.6.-26.6.2006. Poster contribution in English - "Structure of montmorillonite intercalated with methylene blue. Molecular simulations and experiment", Pospíšil M., Macháň R., Malý P., Klika Z., Čapková P., Horáková P., Valášková M.

  26. 3rd Mid-European Clay Conference, Opatija, Chorvatsko, 18-22 September 2006. Poster contribution in English - "Structure analysis of hydrotalcite intercalated with pyrenetetrasulphonate acid, molecular simulations and experiment", Pospíšil M., Veteška M., Čapková P., Beneš L., Melánová K., Zíma V.

  27. 10th Seminar "New Trends in Research of Energetic Materials", Pardubice, Czech Republic, 25.4.-27.4.2007. Oral contribution in English - "Crystal Structures of Energetic Materials Calculated by Molecular Simulations", Pospíšil M., Vávra P, Kovář P.

  28. Kolokvium Krystalografické společnosti, Struktura 2007, Dvůr Králové, 18.6.-21.6.2007. Oral contribution in English and abstract – “Molecular Simulations of Hydrotalcite Intercalated with Pyrenetetrasulfonate“, Veteška M., Pospíšil M.

  29. Euroclay 2007, Aveiro, Portugal, 22.7.-27.7. 2007. Poster contribution in English and abstract - Layered Double Hydroxide Intercalated with Benzoate and its Derivatives, Molecular Modelling and Experiment, Petr Kovář, Miroslav Pospíšil, Morena Nocchetti, Pavla Čapková, Klára Melánová.

  30. Euroclay 2007, Aveiro, Portugal, 22.7.-27.7. 2007. Poster contribution in English and abstract - Structure Analysis of Layered Double Hydroxide Intercallated with Pyrenetetrasulphonate; Molecular Modeling and Experiment, Marek Veteška, Miroslav Pospíšil, Klára Melánová, Ludvík Beneš, Vítězslav Zima.

  31. Euroclay 2007, Aveiro, Portugal, 22.7.-27.7. 2007. Poster contribution in English and abstract - Analysis of Cetylpyridinium and Cetyltrimethylammonium Cations Adsorption on Montmorillonite Surface; Molecular Modeling and Experiment, Miroslav Pospíšil, Petr Praus.

  32. 4th Mid European Clay Conference 2008, Zakopane, Poland, 22.9. - 27.9. 2008. Poster contribution in English and abstract - Mg-Al layered double hydroxide intercalated with porphyrin anions: molecular simulations and experiments, Kovář P., Pospíšil M., Lang K., Kovanda F.; Abstract published in Mineralogia - special papers, 33, 2008, p. 91. Book of Abstract, ed. K. Górniak et al, ISSN: 1896-2203.

  33. 4th Mid European Clay Conference 2008, Zakopane, Poland, 22.9. - 27.9. 2008. Poster contribution in English and abstract - Molecular modeling of montmorillonite (Wyoming, Cheto) surface covered by methylene blue cations,Pospíšil M., Kovář P., Malý P., Klika Z., Horáková P., Valášková M., Čapková P.; Abstract published in Mineralogia - special papers, 33, 2008, p. 134. Book of Abstract, ed. K. Górniak et al, ISSN: 1896-2203.

  34. 18th Clay Conference in Czech Republic, Zátoňské Dvory, 29.9. - 1.10. 2008. Poster contribution in English and abstract - Molecular modelling of natural and intercalated montmorillonites adsorbing phenole and aniline, Veteška M., Pospíšil M., Kostelníková H., Praus P.; Informátor 39, 2008, p. 34. Book of Abstract, ed. M. Šťastný, ISSN: 1802-2480.

  35. 18th Clay Conference in Czech Republic, Zátoňské Dvory, 29.9. - 1.10. 2008. Oral contribution in English and abstract - Layred double hydroxides intecalated with organic anions: molecular modelling combined with experiments, Kovář P., Pospíšil M., Melánová K., Kovanda F., Lang K.; Informátor 39, 2008, p. 27. Book of Abstract, ed. M. Šťastný, ISSN: 1802-2480.

  36. 18th Clay Conference in Czech Republic, Zátoňské Dvory, 29.9. - 1.10. 2008. Poster contribution in English and abstract - Molecular modelling of the cationic surfactants on montmorillonite, Pospíšil M., Praus P.; Informátor 39, 2008, p. 31. Book of Abstract, ed. M. Šťastný, ISSN: 1802-2480.

  37. 14th International Clay Conference, Castellaneta Marina, Italy, 14.6. - 20.6. 2009. Poster contribution in English - Zn-Al layered double hydroxide intercalated with porphyrin anions; molecular simulations, QM calculations and experiments, Kovář P., Pospíšil M., Futera Z., Lang K., Káfuňková E., Taviot-Guého Ch., Bezdička P.: Book of Abstracts, eds. S. Fiore, C. Belviso, M.L. Giannossi. ISBN: 978-88-7522-027-3.

  38. 14th International Clay Conference, Castellaneta Marina, Italy, 14.6. - 20.6. 2009. Poster contribution in English - Molecular simulations of organic dyes in montmorillonites, Pospíšil M., Kovář P., Čapková P., Klika Z.: Book of Abstracts, eds. S. Fiore, C. Belviso, M.L. Giannossi. ISBN: 978-88-7522-027-3.

  39. 14th International Clay Conference, Castellaneta Marina, Italy, 14.6. - 20.6. 2009. Poster contribution in English - Natural and intercalated montmorillonites adsorbing phenole and aniline; experiment and molecular modeling, Veteška M., Pospíšil M., Kostelníková H., Praus P.: Book of Abstracts, eds. S. Fiore, C. Belviso, M.L. Giannossi. ISBN: 978-88-7522-027-3.

  40. Struktura 2009, Hluboká nad Vltavou, 22.6. - 25.6.2009, Oral contribution in Czech - Molecular simulations of Zn-Al Layered Double Hydroxide intercalated with porphyrin derivatives, Kovář P., Pospíšil M., Lang K.: English abstract in Materials Structure 2009, 16(2a) 50-51.

  41. 13th Seminar "New Trends in Research of Energetic Materials", Pardubice, Czech Republic, 21.4.-23.4.2010. Poster contribution in English - "A molecular mechanic study of some factors causing high density of nitro compounds", Pospíšil M., Vávra P.

  42. Struktura 2010, Kolokvium Krystalografické společnosti, Soláň, 14.6.-18.6.2010. Oral contribution in Czech - Structure analysis by molecular simulation techniques. Calculated structures of layered silicates, Pospíšil M., Veteška M., Kovář P.: English abstract in Material Structure, 2010, 17, No2a, k65-k67.

  43. 5th Mid-European Clay Conference, Budapest, Hungary, 25.8.-29.8.2010. Poster contribution in English - Molecular simulations of LDH by various porphyrine molecules, Pospíšil M., Kovář P., Kovanda F., Káfuňková E., Lang K.: Book of abstracts Acta Mineralogica-Petrographica Abstract series, volume 6, 2010, p. 757, eds. L. Zaharia, A. Kis, B. Topa, G. Papp, T.G. Weiszburg, HU ISSN 0324-6523.

  44. MOLEC2010 – XVIII European Conference on Dynamics of Molecular Systems, Curia, Portugal, 5.9.-10.9.2010. Poster contribution in English - Influence of crystal volume on impact sensitivity of some energetic compounds, Pospíšil M., Vávra P., Concha M.C., Murray J.S., Politzer P.: Book of abstracts, p. 150.

  45. 14th Seminar "New Trends in Research of Energetic Materials", Pardubice, Czech Republic, 13.4.-15.4.2011. Poster contribution in English - "Calculated crystal structure of 4,4’-dinitro-3,3’- diazenofuroxan", Pospíšil M., Vávra P.

  46. NanoOstrava, Ostrava, Czech Republic, 27.4. – 29.4. 2011. Poster contribution in English - Molecular simulations of LDH intercalated with porphyrin anions, Pospíšil, M., Kovář, P., Káfuňková E., Lang, K., Kovanda F.: Book of abstracts, p. 58, ISBN: 978-80-7329-264-5.

  47. ISIC16, 16th International Symposium of Intercalation Compounds, Seč – Ústupky, Czech republic 22.5.-27.5. 2011. Keynote lecture in English - Molecular simulations of organic dyes in layered structures, Pospíšil, M., Kovář, P.: Book of abstracts, p. 8, ISBN: 978-80-85009-66-8.

  48. Struktura 2011, Kolokvium Krystalografické společnosti, Turnov, 20.6. – 23.6. 2011. Oral contribution in Czech and abstract in English - Interkalované hydrotalcity, difrakce a modelování, Pospíšil, M.: Material Structure, vol. 18, no. 2, 2011, p. 123-124.

  49. Euroclay 2011 - European Clay Conference, Antalya, Turkey, 26.6 – 1.7 2011. Oral contribution in English - LDH intercalated by porphyrins; molecular simulation and experiment, Pospíšil, M., Kovář, P.: Book of abstracts pp 214.

  50. Euroclay 2011 - European Clay Conference, Antalya, Turkey, 26.6 – 1.7 2011. Poster contribution in English - Inorganic-organic hybrid materials: layered zinc hydroxide salts with intercalated porphyrin sensitizers, Kovář, P., Demel, J., Kubát, P., Jirka, I., Pospíšil, M., Lang, K.: Book of abstracts pp 432.

  51. 19th Clay Conference, Bystřice nad Pernštejnem, Czech Republic, 28.8 – 2.9.2011. Oral contribution in Czech - Inorganic-organic hybrid materials: layered zinc hydroxide salts with intercalated porphyrin senzititzers, Kovář, P., Demel, J., Kubát, P., Jirka, I., Pospíšil, M., Lang, K.: Informátor, 2011, 46 pp 12.

  52. 19th Clay Conference, Bystřice nad Pernštejnem, Czech Republic, 28.8 – 2.9.2011. Oral contribution in Czech - Molekulární simulace jílových minerálů, Pospíšil, M., Kovář, P., Veteška, M.: Informátor, 2011, 46 pp 19.

  53. Geomed 2011, 4th International conference on Medical Geology, Bari, Italy, 20.9.-25.9.2011. Oral contribution in English - Molecular simulation study of LDH intercalated with porphyrins, Pospíšil, M., Kovář, P.: Book of abstracts pp. 112.


Research reports:

  • VŠB Technical University Ostrava
  • Tomas Bata University Zlín
  • University of Pardubice

Grants:

  • 2002 - FRVŠ: Nanocomposite materials on the base of clay minerals
  • 2003 - 2006 Czech Science Foundation: Structures of clay minerals intercalated with organic molecules for applications in nanotechnology
  • 2008 - 2010 Czech Science Foundation: Clay minerals as host matrices for functional nanostructures
  • 2010 - 2014 Czech Science Foundation: Photoactive hybrid materials
  • 2011 - 2014 Czech Science Foundation: Research of the zinc and cadmium sulphide nanoparticles deposited on phyllosilicates for the photocatalytic reduction of carbon dioxide
  • 2007 - MŠMT: Multilicense software for computational cluster
  • 2008 - MŠMT: Software licenses for quantum-chemical calculations
  • 2009 - MŠMT: Widening of hardware infrastructure of computer cluster
  • 2010 - MŠMT: Widening of calculation hardware capacity of computer cluster and software update

Borová - seminars:

Photos:

Borová 2002 | Borová 2004

No comments are necessary :-)


Other activities:

Member of Czech National Clay Group

Member of Crystallographic Association





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