Professor Wojciech Bartkowiak
Head of the Department of Physical and Quantum Chemistry, Senator of the Wrocław University of Science and Technology
Wybrzeże Wyspiańskiego 27
50-370 Wrocław
wojciech.bartkowiak@pwr.edu.pl
(+48) 71 320 3843
Office:Building A3, r. 320
Curriculum vitae
Bibliography
Files to download
Scentific interests
Professor Wojciech Bartkowiak joined the Faculty of Chemistry at the Wroclaw University of Science and Technology in 1998 where he is now a Full Professor and the chair of the Department of Physical and Quantum Chemistry. He co-authored over 120 scientific publications and book chapters and supervised 12 PhD students. His research focuses on electronic and vibrational structure theory of organic molecules with a special emphasis on multiphoton absorption and the influence of external confinement on molecular properties.
Selected scientific articles
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1
A. M. Grabarz, B. Jędrzejewska, A. Skotnicka, N. A. Murugan, F. Patalas, W. Bartkowiak, D. Jacquemin and B. Ośmiałowski, The impact of the heteroatom in a five-membered ring on the photophysical properties of difluoroborates, Dyes Pigm., 2019, 170, 107481. Cite
1
J. Kozłowska, P. Lipkowski, A. Roztoczyńska and W. Bartkowiak, DFT and spatial confinement: a benchmark study on the structural and electrical properties of hydrogen bonded complexes, Phys. Chem. Chem. Phys., 2019, 21, 17253–17273. Cite
1
K. Kinastowska, J. Liu, J. M. Tobin, Y. Rakovich, F. Vilela, Z. Xu, W. Bartkowiak and M. Grzelczak, Photocatalytic cofactor regeneration involving triethanolamine revisited: The critical role of glycolaldehyde, Appl. Catal. B, 2019, 243, 686–692. Cite
1
M. Chołuj and W. Bartkowiak, Electric properties of molecules confined by the spherical harmonic potential, Int. J. Quantum Chem, 2019, 119, e25997. Cite
1
N. H. List, R. Zaleśny, N. A. Murugan, J. Kongsted, W. Bartkowiak and H. Ågren, Relation between Nonlinear Optical Properties of Push–Pull Molecules and Metric of Charge Transfer Excitations, J. Chem. Theory Comput., 2015, 11, 4182–4188. Cite
1
M. Medved', Š. Budzák, W. Bartkowiak and H. Reis, in Handbook of Computational Chemistry, ed. J. Leszczynski, Springer Netherlands, 2015, pp. 1–54. Cite
1
W. Bartkowiak, in Non-linear optical properties of matter: from molecules to condensed phases, eds. M. G. Papadopoulos, A. J. Sadlej and J. Leszczynski, Springer, 2006, pp. 299–318. Cite
Professional career
2016 -
Wroclaw University of Science and Technology — Full Professor
- Head of the Department of Physical and Quantum Chemistry
- Senator of the Wrocław University of Science and Technology
2009 - 2016
Wroclaw University of Science and Technology — Associate Professor
1999 - 2009
Wroclaw University of Science and Technology — Assistant Professor
Titles and degrees
2012
Wroclaw University of Science and Technology — Professor of Chemical Sciences (theoretical chemistry)
2006
Wroclaw University of Science and Technology — Faculty of Chemistry – D.Sc. (habilitation) in chemical sciences (theoretical chemistry)
1998
Wroclaw University of Science and Technology — Faculty of Chemistry – Ph.D. in chemical sciences (quantum chemistry)
1994
Wroclaw University of Science and Technology — Faculty of Chemistry – M.Sc. in chemistry (quantum chemistry)
Scientific internships
2000 - 2003 (a few short term internships)
Jackson State University — Computational Center for Molecular Structure and Interactions, Jackson, MS, USA – visiting researcher
Awards
He has been awarded many times for scientific and didactic activities by the Rector of Wrocław University of Technology (in 2003, 2004, 2006, 2008, 2011, 2013, 2016). Expert of the ST4 (Chemistry) panel of the National Science Center since 2016.
Other major awards and functions:
2018 – member of the editorial board of Journal of Computational Methods in Sciences and Engineering (IOS Press)
2012 – laureate of the team award of the Rector of the Nicolaus Copernicus University;
2008 – laureate of the team award of the Rector of the Nicolaus Copernicus University;
2006 – laureate of the team award of the Minister of Science and Higher Education;
1999 – laureate of the national scholarship of the Foundation for Polish Science for young scientists.
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J. Kozłowska, M. Schwilk, A. Roztoczyńska and W. Bartkowiak, Assessment of DFT for endohedral complexes' dipole moment: PNO-LCCSD-F12 as a reference method, Phys. Chem. Chem. Phys., 2018, 20, 29374–29388. Cite
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K. Kinastowska, J. Barroso, L. Yate, V. Pavlov, A. Chuvilin, W. Bartkowiak and M. Grzelczak, Cobalt oxide as a selective co-catalyst for water oxidation in the presence of an organic dye, Photochem. Photobiol. Sci., 2017, 16, 1771–1777. Cite
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J. Bednarska, R. Zaleśny, G. Tian, N. A. Murugan, H. Ågren and W. Bartkowiak, Nonempirical Simulations of Inhomogeneous Broadening of Electronic Transitions in Solution: Predicting Band Shapes in One- and Two-Photon Absorption Spectra of Chalcones, Molecules, 2017, 22, 1643. Cite
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R. Zaleśny, M. Chołuj, J. Kozłowska, W. Bartkowiak and J. M. Luis, Vibrational nonlinear optical properties of spatially confined weakly bound complexes, Phys. Chem. Chem. Phys., 2017, 19, 24276–24283. Cite
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J. Bednarska, R. Zaleśny, W. Bartkowiak, B. Ośmiałowski, M. Medved' and D. Jacquemin, Quantifying the Performances of DFT for Predicting Vibrationally Resolved Optical Spectra: Asymmetric Fluoroborate Dyes as Working Examples, J. Chem. Theory Comput., 2017, 13, 4347–4356. Cite
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M. Chołuj, W. Bartkowiak, P. Naciążek and K. Strasburger, On the calculations of the static electronic dipole (hyper)polarizability for the free and spatially confined H−, J. Chem. Phys., 2017, 146, 194301. Cite
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A. Roztoczyńska, P. Lipkowski, J. Kozłowska and W. Bartkowiak, About the nature of halogen bond interaction under the spatial confinement, J. Chem. Phys., 2017, 146, 154304. Cite
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J. Kozłowska, M. Chołuj, R. Zaleśny and W. Bartkowiak, Two-photon absorption of the spatially confined LiH molecule, Phys. Chem. Chem. Phys., 2017, 19, 7568–7575. Cite
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P. Toman, M. Menšík, W. Bartkowiak and J. Pfleger, Modelling of the charge carrier mobility in disordered linear polymer materials, Phys. Chem. Chem. Phys., 2017, 19, 7760–7771. Cite
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J. Bednarska, R. Zaleśny, M. Wielgus, B. Jędrzejewska, R. Puttreddy, K. Rissanen, W. Bartkowiak, H. Ågren and B. Ośmiałowski, Two-photon absorption of BF2-carrying compounds: insights from theory and experiment, Phys. Chem. Chem. Phys., 2017, 19, 5705–5708. Cite
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M. Medved', Š. Budzák, W. Bartkowiak and H. Reis, in Handbook of Computational Chemistry, eds. J. Leszczynski, A. Kaczmarek-Kedziera, T. Puzyn, M. G. Papadopoulos, H. Reis and M. K. Shukla, Springer International Publishing, Cham, 2017, pp. 741–794. Cite
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A. Roztoczyńska, J. Kozłowska, P. Lipkowski and W. Bartkowiak, Hydrogen bonding inside and outside carbon nanotubes: HF dimer as a case study, Phys. Chem. Chem. Phys., 2016, 18, 2417–2427. Cite
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M. Chołuj and W. Bartkowiak, Ground-state dipole moment of the spatially confined carbon monoxide and boron fluoride molecules, Chem. Phys. Lett., 2016, 663, 84–89. Cite
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M. Wielgus, M. Gordel, M. Samoć and W. Bartkowiak, Solvent Effects on the Optical Properties of PEG-SH and CTAB Capped Gold Nanorods, Acta Physica Polonica A, 2016, 130, 1380–1384. Cite
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J. Bednarska, R. Zaleśny, N. Arul Murugan, W. Bartkowiak, H. Ågren and M. Odelius, Elucidating the Mechanism of Zn(2+) Sensing by a Bipyridine Probe Based on Two-Photon Absorption, J. Phys. Chem. B, 2016, 120, 9067–9075. Cite
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M. Wielgus, M. Samoć and W. Bartkowiak, Two-photon absorption of Crystal Violet in solutions: Analysis of the solvent effect and aggregation process based on linear and nonlinear absorption spectra, Journal of Molecular Liquids, 2016, 222, 125–132. Cite
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R. Zaleśny, R. W. Góra, J. M. Luis and W. Bartkowiak, On the particular importance of vibrational contributions to the static electrical properties of model linear molecules under spatial confinement, Phys. Chem. Chem. Phys., 2015, 17, 21782–21786. Cite
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K. Matczyszyn, J. Olesiak-Banska, K. Nakatani, P. Yu, N. A. Murugan, R. Zaleśny, A. Roztoczyńska, J. Bednarska, W. Bartkowiak, J. Kongsted, H. Ågren and M. Samoć, One- and Two-Photon Absorption of a Spiropyran–Merocyanine System: Experimental and Theoretical Studies, J. Phys. Chem. B, 2015, 119, 1515–1522. Cite
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M. Chołuj, J. Kozłowska, A. Roztoczyńska and W. Bartkowiak, On the directional character of orbital compression: A model study of the electric properties of LiH–(He)n complexes, Chem. Phys., 2015, 459, 24–30. Cite
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R. Zaleśny, N. A. Murugan, F. Gel'mukhanov, Z. Rinkevicius, B. Ośmiałowski, W. Bartkowiak and H. Ågren, Toward Fully Nonempirical Simulations of Optical Band Shapes of Molecules in Solution: A Case Study of Heterocyclic Ketoimine Difluoroborates, J. Phys. Chem. A, 2015, 119, 5145–5152. Cite
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B. Ośmiałowski, A. Zakrzewska, B. Jędrzejewska, A. Grabarz, R. Zaleśny, W. Bartkowiak and E. Kolehmainen, Influence of Substituent and Benzoannulation on Photophysical Properties of 1-Benzoylmethyleneisoquinoline Difluoroborates, J. Org. Chem., 2015, 80, 2072–2080. Cite
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N. H. List, R. Zaleśny, N. A. Murugan, J. Kongsted, W. Bartkowiak and H. Ågren, Relation between Nonlinear Optical Properties of Push–Pull Molecules and Metric of Charge Transfer Excitations, J. Chem. Theory Comput., 2015, 11, 4182–4188. Cite
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R. Zaleśny, G. Tian, C. Hättig, W. Bartkowiak and H. Ågren, Toward assessment of density functionals for vibronic coupling in two-photon absorption: A case study of 4-nitroaniline, J. Comput. Chem., 2015, 36, 1124–1131. Cite
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M. Wielgus, J. Michalska, M. Samoc and W. Bartkowiak, Two-photon solvatochromism III: Experimental study of the solvent effects on two-photon absorption spectrum of p-nitroaniline, DyesPigment, 2015, 113, 426–434. Cite
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J. Kozłowska, A. Roztoczyńska and W. Bartkowiak, About diverse behavior of the molecular electric properties upon spatial confinement, Chem. Phys., DOI:10.1016/j.chemphys.2014.12.003. Cite
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M. G. Vivas, D. L. Silva, J. Malinge, M. Boujtita, R. Zaleśny, W. Bartkowiak, H. Ågren, S. Canuto, L. De Boni, E. Ishow and C. R. Mendonca, Molecular Structure – Optical Property Relationships for a Series of Non-Centrosymmetric Two-photon Absorbing Push-Pull Triarylamine Molecules, Sci. Rep., DOI:10.1038/srep04447. Cite
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J. Kozłowska and W. Bartkowiak, The effect of spatial confinement on the noble-gas HArF molecule: structure and electric properties, Chem. Phys., 2014, 441, 83–92. Cite
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A. Roztoczyńska, J. Kozłowska, P. Lipkowski and W. Bartkowiak, Does the spatial confinement influence the electric properties and cooperative effects of the hydrogen bonded systems? HCN chains as a case study, Chem. Phys. Lett., 2014, 608, 264–268. Cite
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J. Kozłowska, R. Zaleśny and W. Bartkowiak, On the nonlinear electrical properties of molecules in confined spaces – From cylindrical harmonic potential to carbon nanotube cages, Chem. Phys., 2014, 428, 19–28. Cite
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M. Sowula, T. Misiaszek and W. Bartkowiak, Solvent effect on the vibrational spectrum of Michler's ketone. Experimental and theoretical investigations, Spectr. Acta Part A: Molec. Bio. Spect., 2014, 131, 678–685. Cite
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P. Lipkowski, J. Kozłowska, A. Roztoczyńska and W. Bartkowiak, Hydrogen-bonded complexes upon spatial confinement: structural and energetic aspects, Phys. Chem. Chem. Phys., 2014, 16, 1430–1440. Cite
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U. Bielecka, K. Janus and W. Bartkowiak, in Proc. SPIE, 2014, vol. 9185, pp. 91850E-91850E–7. Cite
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Ż. Czyżnikowska, R. W. Góra, R. Zaleśny, W. Bartkowiak, A. Baranowska-Łączkowska and J. Leszczyński, The Effect of Intermolecular Interactions on the Electric Dipole Polarizabilities of Nucleic Acid Base Complexes, Chem. Phys. Lett., 2013, 555, 230–234. Cite
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I. W. Bulik, R. Zaleśny, W. Bartkowiak, J. M. Luis, B. Kirtman, G. E. Scuseria, A. Avramopoulos, H. Reis and M. G. Papadopoulos, Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities, J. Comput. Chem., 2013, 34, 1775–1784. Cite
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A. Roztoczyńska, A. Kaczmarek-Kędziera, R. W. Góra and W. Bartkowiak, How does the Boys and Bernardi counterpoise correction scheme affects the calculated interaction-induced electric properties? Model hydrogen-bonded systems as a case study, Chem. Phys. Lett., 2013, 571, 28–33. Cite
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M. G. Vivas, D. L. Silva, L. De Boni, Y. Bretonniere, C. Andraud, F. Laibe-Darbour, J.-C. Mulatier, R. Zaleśny, W. Bartkowiak, S. Canuto and C. R. Mendonca, Revealing the Electronic and Molecular Structure of Randomly Oriented Molecules by Polarized Two-Photon Spectroscopy, J. Phys. Chem. Lett., 2013, 4, 1753–1759. Cite
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J. Kozłowska, M. Wielgus and W. Bartkowiak, TD-DFT study on the charge-transfer excitations of anions possessing double or triple bonds, Comp. Theo. Chem., 2013, 1014, 49–55. Cite
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R. Zaleśny, R. W. Góra, J. Kozłowska, J. M. Luis, H. Ågren and W. Bartkowiak, Resonant and Nonresonant Hyperpolarizabilities of Spatially Confined Molecules: A Case Study of Cyanoacetylene, J. Chem. Theory Comput., 2013, 9, 3463–3472. Cite
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S. P. Sitkiewicz, M. M. Mikołajczyk, P. Toman, R. Zaleśny and W. Bartkowiak, Towards first-principles based modeling of poly-3-alkylthiophenes: The nature of interactions in 2,2′-bithiophene dimer, Chem. Phys. Lett., 2013, 566, 67–70. Cite
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M. Wielgus, R. Zaleśny, N. A. Murugan, J. Kongsted, H. Ågren, M. Samoc and W. Bartkowiak, Two-Photon Solvatochromism II: Experimental and Theoretical Study of Solvent Effects on the Two-Photon Absorption Spectrum of Reichardt's Dye, ChemPhysChem, 2013, 14, 3731–3739. Cite
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J. Olesiak-Banska, K. Matczyszyn, R. Zaleśny, N. A. Murugan, J. Kongsted, H. Ågren, W. Bartkowiak and M. Samoc, Revealing Spectral Features in Two-Photon Absorption Spectrum of Hoechst 33342: A Combined Experimental and Quantum-Chemical Study, J. Phys. Chem. B, 2013, 117, 12013–12019. Cite
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J. Bednarska, A. Roztoczyńska, W. Bartkowiak and R. Zaleśny, Comparative assessment of density functionals for excited-state dipole moments, Chem. Phys. Lett., 2013, 584, 58–62. Cite