Skip to main content

Piotr Durlak, Ph.D.



Adjunct
B.Sc. 2001, M.Sc. 2003, Ph.D. 2007.;
University Study-Oriented System (USOS) coordinator.


The list of publications

    22. "Investigations of the Hydrogen Bond in the Crystals of Tropolone and Thiotropolone via Car-Parrinello and Path Integral Molecular Dynamics”
    Piotr Durlak, Zdzisław Latajka,
    J. Comput. Chem. xxx, (2018), xxx-xxx. In Press
    doi: 10.1002/jcc.25753

    21. "Car-Parrinello and Path Integral Molecular Dynamics Study of the Proton Transfer in the Intramolecular Hydrogen Bonds in the Ketohydrazone-Azoenol System"
    Piotr Durlak, Zdzisław Latajka,
    J. Phys. Chem. B 122, (2018), 7862-7873.
    doi: 10.1021/acs.jpcb.8b04883

    20. "Widely used hardly known. An insight into electric and dynamic properties of Formamidinium iodide"
    Klaudia Mencel, Piotr Durlak, Magdalena Rok, Ryszard Jakubas, Jan Baran, Wojciech Medycki, Agnieszka Ciżman, Anna Piecha-Bisiorek,
    RSC Adv. 8, (2018), 26506-26516.
    doi: 10.1039/C8RA03871F

    19. "The crystal structures analysis of the methyl-substituted pyrazines with anilic acids: a combined diffraction, inelastic neutron scattering, 1H NMR studies and theoretical approach"
    Magdalena Rok, Grazyna Bator, Wanda Sawka-Dobrowolska, Piotr Durlak, Marcin Moskwa, Wojciech Medycki, Lucjan Sobczyk, Michaela Zamponi,
    CrystEngComm 20, (2018), 2016-2028.
    doi: 10.1039/C8CE00040A

    18. "Dimeric nature of N-coordinated Mg and Ca ions in metaloorganic compounds. The topological analysis of ELF functions for Mg–Mg and Ca–Ca bonds"
    Sławomir Berski, Piotr Durlak,
    Polyhedron 129, (2017), 22-29.
    doi: 10.1016/j.poly.2017.03.024

    17. "Fourier transform infrared and Raman spectroscopy in the study of phase transitions in dipyrazolium iodide triiodide: Experimental and theoretical analysis"
    Magdalena Węcławik, Jan Baran, Piotr Durlak, Łukasz Marciniak, Anna Piecha-Bisiorek, Ryszard Jakubas,
    Spectrochim. Acta Part A 179, (2017), 83-94.
    doi: 10.1016/j.saa.2017.02.029

    16. "Mechanism of Claisen rearrangement of allyl phenyl ether from perspective of topological analysis of ELF function"
    Sławomir Berski, Piotr Durlak,
    New J. Chem. 40, (2016), 8717-8726.
    doi: 10.1039/C6NJ02074G

    15. "Enormous Lattice Distortion Through Isomorphous Phase Transition in Organic-Inorganic Hybrid Based on Haloantimonate(III)"
    Martyna Wojciechowska, Przemysław Szklarz, Agata Białońska, Jan Baran, Rafał Janicki, Wojciech Medycki, Piotr Durlak, Anna Piecha-Bisiorek, Ryszard Jakubas,
    CrystEngComm 18, (2016), 6184-6194.
    doi: 10.1039/C6CE01008C

    14. "Theoretical studies on the molecular structure, conformational preferences, topological and vibrational analysis of allicin"
    Piotr Durlak, Sławomir Berski, Zdzisław Latajka,
    Chem. Phys. Lett. 644, (2016), 5-13.
    doi: 10.1016/j.cplett.2015.11.038

    13. "Car-Parrinello and Path Integral molecular dynamics study of the intramolecular hydrogen bonds in the crystals of benzoylacetone and dideuterobenzoylacetone"
    Piotr Durlak, Zdzisław Latajka,
    Phys. Chem. Chem. Phys. 16, (2014), 23026-23037.
    doi: 10.1039/C4CP02569E

    12. "Investigations of the Very Short Hydrogen Bond in the Crystal of Nitromalonamide via Car-Parrinello and Path Integral Molecular Dynamics"
    Piotr Durlak, Krzysztof Mierzwicki, Zdzisław Latajka,
    J. Phys. Chem. B 117, (2013), 5430-5440.
    doi:10.1021/jp312473b

    11. "Ab initio Molecular Dynamics study of the very short O-H…O hydrogen bonds in the condensed phases"
    Piotr Durlak, Zdzisław Latajka,
    J. Chem. Theory Comput. 9, (2013), 65-72.
    doi:10.1021/ct300589r

    10. "Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the acetic acid dimer in the gas phase"
    Piotr Durlak, Sławomir Berski, Zdzisław Latajka,
    J. Mol. Model. 17, (2011), 2995-3004.
    doi:10.1007/s00894-011-1020-9

    9. "Proton transfer dynamics in propionic acid dimer from path integral molecular dynamics calculations"
    Piotr Durlak, Zdzisław Latajka,
    J. Mol. Model. 17, (2011), 2159-2168.
    doi:10.1007/s00894-010-0939-6

    8. "Car-Parrinello and path integral molecular dynamics study of the hydrogen bonds in 2-Acetyl-1,8-dihydroxy-3,6-dimethylnaphthalene"
    Piotr Durlak, Zdzisław Latajka,
    Chem. Phys. Lett. 499, (2010), 56-61.
    doi:10.1016/j.cplett.2010.09.045

    7. "Nature of bonding in substituted polyacetylene: A combined AIM-ELF analysis"
    Piotr Durlak, Krzysztof Mierzwicki, Zdzisław Latajka, Henryk Ratajczak,
    J. Mol. Struct. 976, (2010), 392-396.
    doi:10.1016/j.molstruc.2010.03.080
    This work is dedicated to Prof. Austin Barnes for his many valuable contributions to molecular spectroscopy.

    6. "Fermi resonance and strong anharmonic effects in the absorption spectra of the ν-OH (ν-OD) vibration of solid H- and D-benzoic acid"
    Anatolij M. Yaremko, Henryk Ratajczak, Austin J. Barnes, Jan Baran, Piotr Durlak, Zdzisław Latajka,
    Chem. Phys. 364, (2009), 51-63.
    doi:10.1016/j.chemphys.2009.08.011

    5. "Car-Parrinello and path integral molecular dynamics study of the intramolecular hydrogen bond in the novel class of anionic H-chelates: 6-Nitro-2,3-dipyrrol-2-ylquinoxaline anion"
    Piotr Durlak, Zdzisław Latajka,
    Chem. Phys. Lett. 480, (2009), 173-177.
    doi:10.1016/j.cplett.2009.09.012

    4. "Car-Parrinello molecular dynamics and density functional theory simulations of infrared spectra for acetic acid monomers and cyclic dimers"
    Piotr Durlak, Zdzisław Latajka,
    Chem. Phys. Lett. 477, (2009), 249-254.
    doi:10.1016/j.cplett.2009.07.010

    3. "A Car-Parrinello and path integral molecular dynamics study of the intramolecular lithium bond in the lithium 2-pyridyl-N-oxide acetate"
    Piotr Durlak, Zdzisław Latajka, Sławomir Berski,
    J. Chem. Phys. 131, (2009), 024308-024316.
    doi:10.1063/1.3175797

    2. "DFT studies of H3N-X (X = Li, Na, K, Rb, Cs, and Fr) systems"
    Robert Wieczorek, Piotr Durlak, Zdzisław Latajka,
    Pol. J. Chem. 83, (2009), 761-769.
    doi:0137-5083
    Issue dedicated to honour 70-th birthday of Prof. Aleksander Koll.

    1. "Car-Parrinello and path integral molecular dynamics study of the hydrogen bond in the chloroacetic acid dimer system"
    Piotr Durlak, Carole A. Morrison, Derek S. Middlemiss, Zdzisław Latajka,
    J. Chem. Phys. 127, (2007), 064304-064312.
    doi:10.1063/1.2749251


Grants and Awards

    2017: Award of the Rector of the University of Wroclaw for organization achievements in 2016.
    2016: Award of the Rector of the University of Wroclaw for organization achievements in 2015.
    2015: Award of the Rector of the University of Wroclaw for organization achievements in 2014.
    2011: Team Award of the Rector of the University of Wroclaw for scientific achievements in 2010.
    2011-2012: Internal Grant for Young Scientists, Ministry of Science and Higher Education of Poland, No. 105/10/E-344/M/2011.
    2010: Team Award of the Rector of the University of Wroclaw for scientific achievements in 2009.
    2010: HPC-Europa2 grant at Edinburgh Parallel Computer Centre (EPCC), under the European Community programme.
    2008-2010: Ministry of Science and Higher Education of Poland, under Grant No. NN 204 0958 33.
    2007: HPC-Europa grant at Edinburgh Parallel Computer Centre (EPCC), under the European Community programme.
    2005-2006: “REACTELF” (in the 6-th Framework Program UE).

Conferences and Workshops

    8. M. Rok, G. Bator, W. Sawka-Dobrowolska, P. Durlak, W. Medycki, L. Sobczyk, M. Zamponi,
    Structure and tunneling of methyl groups in molecular complexes containing 2-methylpyrazine, 2,3,5-trimethylpyrazine and organic acids.
    Hucisko, Poland, May 16-20, 2016, XXII POLISH-CZECH SEMINAR, Structural and Ferroelectric Phase Transitions

    7. Marek Doskocz, Aleksanda Rosolska, Piotr Durlak, Paweł Misiak, Edyta Łyczkowska-Widłak, Grzegorz Banach
    E-SCIENCE.PL: specialized web-based IT platform for polish scientific laboratories. Services for scanning microscopy, NMR, crystallography labs.
    From Molecular Modeling to Nano- and Biotechnology 2015, 2nd Polish - Taiwanese Conference. Opole, Poland, August 26-28, 2015, poster.

    6. Piotr Durlak, Zdzisław Latajka
    Ab initio Molecular Dynamics study of the very short and symmetrical O-H...O hydrogen bonds in the condensed phases.
    Modeling and Design of Molecular Materials 2012. Wrocław, Poland, September 10-14, 2012, poster.

    5. Piotr Durlak
    Spring School on Path-Integral Molecular Dynamics (PIMD). Toulouse, France, June 4-8, 2012, workshop.

    4. Zdzisław Latajka, Piotr Durlak, Przemysław Dopieralski
    Accurate theoretical studies of proton transfer dynamics in O-H---O hydrogen bonds: Dimers and crystals of mono- and dicarboxylic acids.
    IX-th International Conference on Molecular Spectroscopy. Ladek Zdroj, Poland, September 12-16, 2007, lecture.

    3. Piotr Durlak, Zdzisław Latajka
    The Car-Parrinello molecular dynamics studies on proton transfer for acetic acid in solid state, liquid and gas phase.
    III International Conference on Hydrogen Bonding and Molecular Interactions. Kyiv, Ukraine, May 15-21, 2006, poster.

    2. Zdzisław Latajka, Piotr Durlak, Przemysław Dopieralski, Sławomir Berski
    Theoretical studies of dynamical properties of selected H-bonded systems.
    III International Conference on Hydrogen Bonding and Molecular Interactions. Kyiv, Ukraine, May 15-21, 2006, lecture.

    1. Piotr Durlak, Krzysztof Mierzwicki, Zdzisław Latajka
    Quantum analysis of the nature of bonding in molecular structures (C2X2)nH2 (X = H, F, Cl, S, SH).
    New Molecular Materials - School of Organic and Physical Chemistry. Polanica Zdroj, Poland, June 7-10, 2004, poster.