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Miroslav Pospíšil

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CURICULUM VITAE

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přejdi na:

Výuka | Monografie | Publikace v časopisech | Publikace ve sbornících | Konferenční příspěvky | Výzkumné zprávy | Granty | Další aktivity |



Výuka:

NBCM100

Výpočetní experimenty v teorii molekul I

NBCM125

Výpočetní experimenty v teorii molekul II

NBCM055

Molekulární simulace při řešení struktur materiálů

NBCM098

Rentgenová a elektronová strukturní analýza biomolekul a makromolekul

NBCM160

Klasická a kvantová statistická fyzika molekulárních systémů


Monografie:

  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.

Publikace v časopisech:

  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"
    Materials Structure, 2008, 15 (no. 1), 32-37.

  21. Veteška, M., Pospíšil, M. "Molecular Simulations of Hydrotalcite Intercalated with Pyrenetetrasulfonate"
    Materials 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

  31. Petr Praus, Richard Dvorský, Petra Horínková, Miroslav Pospíšil, Petr Kovář, Precipitation, stabilization and molecular modeling of ZnS nanoparticles in the presence of cetyltrimethylammonium bromide, Journal of Colloid and Interface Science, 2012, 377, p 58-63, DOI: 10.1016/j.jcis.2012.03.073.

  32. Petr Kovář, Petr Praus, Monika Wojtalová, Miroslav Pospíšil, Molecular modelling of zinc sulphide nanoparticles stabilized by cetyltrimethylammonium bromide, J. Serb. Chem. Soc., 2014, 79, no. 12, p. 1545-1559, DOI: 10.2298/JSC131115050K.

  33. Jan Demel, Jan Hynek, Petr Kovář, Yan Dai, Christine Taviot-Gueho, Ondřej Demel, Miroslav Pospíšil, Kamil Lang, Insight into the Structure of Layered Zinc Hydroxide Salts Intercalated with Dodecyl Sulfate Anions, J. Phys. Chem. C, 2014, 118, no. 46, p. 27131-27141, DOI: 10.1021/jp508499g.

  34. Vítězslav Zima, Klára Melánová, Petr Kovář, Ludvík Beneš, Jan Svoboda, Miroslav Pospíšil, Aleš Růžička, Intercalates of Strontium Phenylphosphonate with Acohols – Structure Analysis by Experimental and Molecular Modeling Methods, European Journal of Inorganic Chemistry, 2015, p. 1552-1561, DOI: 10.1002/ejic.201403069.

  35. Klára Melánová, Petr Kovář, Ludvík Beneš, Jan Svoboda, Marek Veteška, Miroslav Pospíšil, Vítězslav Zima, Intercalation of 1,n-diols into strontium phenylphosphonate: How the shape of the host layers influences arrangement of the guest molecules, Journal of Colloid and Interface Science, 2015, 460, p. 181-188, DOI: 10.1016/j.jcis.2015.08.043.

  36. Jan Svoboda, Klára Melánová, Vítězslav Zima. Ludvík Beneš, Milan Pšenička, Miroslav Pospíšil, Petr Kovář, Influence of 1,2-alkanediols on the structure of their intercalates with strontium phenylphosphonate solved by molecular simulation and experimental methods, J. Mol. Model. 2016, 22, 143, DOI:10.1007/s00894-016-3014-0.

  37. Klára Melánová, Petr Kovář, Martina Gamba, Miroslav Pospíšil, Ludvík Beneš, Vítězslav Zima, Jan Svoboda, David Miklík, Filip Bureš, Petr Knotek, Structural arrangement of 4-[4-(N,N-dimethylamino)phenylazo]pyridine push-pull molecules in acidic layered hosts solved by experimental and calculation methods, European Journal of Inorganic Chemistry, 2017, p. 115-123, DOI: 10.1002/ejic.201601053.

  38. Martina Gamba, Petr Kovář, Miroslav Pospíšil, Rosa Maria Torres Sánchez, Insight into thiabendazole interaction with montmorillonite and organically modified montmorillonites, Applied Clay Science, 2017, 137, p. 59-68, DOI: 10.1016/j.clay.2016.12.001.

  39. Jakub Škoda, Miroslav Pospíšil*, Petr Kovář, Klára Melánová, Jan Svoboda, Ludvík Beneš, Vítězslav Zima, Geometry optimization of zirconium sulfophenylphosphonate layers by molecular simulation methods, 2017, Journal of molecular modeling, 24, p. 10, DOI: 10.1007/s00894-017-3549-8.

  40. Klára Melánová, Ludvík Beneš, Jan Svoboda, Vítězslav Zima, Miroslav Pospíšil, Petr Kovář, Alkaline-earth metal phenylphosphonates and their intercalation chemistry, 2018, Dalton Transactions, 47, p. 2867-2880, DOI: 10.1039/c7dt03728g.

  41. Jakub Škoda, Miroslav Pospíšil*, Petr Kovář, Klára Melánová, Jan Svoboda, Ludvík Beneš, Vítězslav Zima, How Intercalated Sodium, Copper, and Iron Cations Influence the Structural Arrangement of Zirconium Sulfophenylphosphonate Layers? Theoretical and Experimental Points of View, Journal of Physical Chemistry C, 2019, 123, p. 2488-2495, DOI: 10.1021/acs.jpcc.8b08134.

  42. Eleni Gianni, Konstantinos Avgoustakis, Milan Pšenička, Miroslav Pospíšil, Dimitrios Papoulis, Detail insight into halloysite nanotubes intercalated with irinotecan; synthesis and characterization by experimental and molecular simulation methods, Journal of Drug Delivery Science and Technology, 2019. 52, p. 568-576, DOI: 10.1016/j.jddst.2019.05.001

  43. Petr Kovář, Jakub Škoda, Miroslav Pospíšil*, Klára Melánová, Jan Svoboda, Ludvík Beneš, Petr Kutálek, Vítězslav Zima, Filip Bureš, How N-(pyridin-4-yl)pyridin-4-amine and its methyl and nitro derivatives are arranged in the interlayer space of zirconium sulfophenylphosphonate: a problem solved by experimental and calculation methods, Journal of Computer-Aided Molecular Design, 2020, 34, 683-695, DOI: 10.1007/s10822-020-00299-w

  44. Milan Pšenička, Jakub Škoda, Miroslav Pospíšil, Structural arrangement and properties of layered double hydroxide drug nanocarrier intercalated by sulindac and mefenamic acid solved by molecular simulation methods, Applied Clay Science, 2020, 189, p. 105560, DOI: 10.1016/j.clay.2020.105560.

  45. C. V. Lazaratou, D. Panagiotaras, G. Panagopoulos, M. Pospíšil, and D. Papoulis, Ca treated Palygorskite and Halloysite clay minerals for Ferrous Iron (Fe+2) removal from water systems, Environmental Technology & Innovation, 2020, 19, 100961, DOI:10.1016/j.eti.2020.100961



Publikace ve sbornících:

  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, Materials 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.




Konferenční příspěvky:

  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, Kovář P., Pospíšil M., Nocchetti M., Čapková P., Melánová K.

  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, Veteška M., Pospíšil M., Melánová K., Beneš L., Zima V.

  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, Pospíšil M., Praus P.

  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 Materials 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.: Materials 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.


Výzkumné zprávy:

Pro Fakultu technologickou ve Zlíně, VUT Brno:
Červenec 2000 Molekulární simulace při vývoji polymerních nanokompozitů I. Dílčí zpráva č. 1 o řešení úkolu. Čapková P., Pospíšil M.
Září 2000 Molekulární simulace při vývoji polymerních nanokompozitů I. Dílčí zpráva č. 2 o řešení úkolu. Čapková P., Pospíšil M.
Prosinec 2000Molekulární simulace při vývoji polymerních nanokompozitů I. Závěrečná zpráva o řešení úkolu. Čapková P., Pospíšil M.

Pro Univerzitu Tomáše Bati ve Zlíně:
Červen 2002 Montmorillonit interkalovaný oktadecylaminem a oktadecylamoniem. Čapková P., Pospíšil M.
Listopad 2002Montmorillonit interkalovaný oktadecylamoniem a alkylaminy. Čapková P., Pospíšil M.


Pro Univerzitu Pardubice:
Prosinec 2001Studium energetických molekul pomocí molekulární mechaniky a klasické molekulární dynamiky. Čapková P., Pospíšil M., Repáková J.
Prosinec 2002Předběžná zpráva o výsledcích studia rozpadu energetických molekul při různých tlacích. Čapková P., Pospíšil M.


Pro VŠB TU Ostrava a Univerzitu Tomáše Bati ve Zlíně:
Prosinec 2003 Molekulární simulace struktur interkalovaných fylosilikátů a nanokompozitů polymer-silikát. I. dílčí zpráva: Modelování struktury montmorillonitu interkalovaného oktadecylaminem a kointerkalovaného kyselinou stearovou.Čapková P., Pospíšil M.
Březen 2004 Molekulární simulace struktur interkalovaných fylosilikátů a nanokompozitů polymer-silikát. II. dílčí zpráva: Strukturní studie montmorillonitu kointerkalovaného oktadecylaminem a kyselinou stearovou za různých podmínek.Čapková P., Pospíšil M., Valášková M., Trchová M., Sedláková Z., Weiss Z.
Říjen 2004 Molekulární simulace struktur interkalovaných fylosilikátů a nanokompozitů polymer-silikát. III. dílčí zpráva: Strukturní studie mezivrství a povrchu montmorillonitu interkalovaného organickými molekulami.Čapková P., Pospíšil M., Valášková M., Trchová M., Sedláková Z., Weiss Z.
Prosinec 2004 Molekulární simulace struktur interkalovaných fylosilikátů a nanokompozitů polymer-silikát. IV. dílčí zpráva: Modelování interakce silikátové vrstvy s dioktylftalátem a s oktadecylaminem.Pospíšil M., Čapková P., Trchová M.

Granty:

  • 2002 FRVŠ: Nanokompozitní materiály na bázi jílových minerálů
  • 2003-2006 GAČR: Struktury jílových minerálů interkalovaných organickými molekulami pro aplikace v nanotechnologiích
  • 2008-2010 GAČR: Jílové minerály jako hostitelské matrice pro funkční nanostruktury
  • 2010-2014 GAČR: Fotoaktivní hybridní materiály
  • 2011-2014 GAČR: Výzkum nanočástic sulfidů zinku a kadmia deponovaných na fylosilikátech pro fotokatalytickou redukci oxidu uhličitého
  • 2007 MŠMT: Multilicenční software pro výpočetní klastr
  • 2008 MŠMT: Softwarové licence pro kvantově chemické výpočty
  • 2009 MŠMT: HW rozšíření infrastruktury výpočetního klastru fyzikální sekce MFF
  • 2010 MŠMT: Rozšíření výpočetní kapacity výpočetního klastru fyzikální sekce MFF a aktualizace software
  • 2014-2016 GAČR: 2D struktury na bázi fosfonátů kovů: vztahy mezi uspořádáním a vlastnostmi studované pomocí experimentálních a výpočetních metod

Další aktivity:

Člen České společnosti pro výzkum a využití jílů

Člen České a slovenské krystalografické společnosti





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