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Department of Physical and Quantum Chemistry
Home  >  People  >  Wojciech Bartkowiak

Prof. dr hab. inż. Wojciech Bartkowiak

Kierownik Katedry Chemii Fizycznej i Kwantowej, Senator Politechniki Wrocławskiej

Wybrzeże Wyspiańskiego 27

50-370 Wrocław

wojciech.bartkowiak@pwr.edu.pl

(+48) 71 320 3843

Office:Budynek A3, p. 320

Curriculum vitae
Bibliografia
Do pobrania

Zainteresowania naukowe

Wojciech Bartkowiak związany jest z Wydziałem Chemii Politechniki Wrocławskiej od 1998 roku, gdzie jest zatrudniony na stanowisku profesora zwyczajnego i pełni funkcję kierownika Katedry Chemii Fizycznej i Kwantowej. Jest współautorem ponad 130 publikacji naukowych i rozdziałów książkowych. Wypromował 12 doktorów. Jego badania koncentrują się na teorii struktury elektronowej i oscylacyjnej cząsteczek organicznych, ze szczególnym uwzględnieniem absorpcji wielofotonowej i wpływu zewnętrznego ograniczenia na właściwości molekularne.

ORCID orcid ResearchGate researchgate Dailymotion dona

Wybrane artykuły naukowe

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

Kariera

2016 -

Politechnika Wrocławska — Profesor Zwyczajny

  • Kierownik Katedry Chemii Fizycznej i Kwantowej
  • Senator Politechniki Wrocławskiej
2009 - 2016

Politechnika Wrocławska — Profesor Uczelni

1999 - 2009

Politechnika Wrocławska — Adiunkt

Tytuły i stopnie

2012

Politechnika Wrocławska — Tytuł profesora nauk chemicznych (chemia teoretyczna)

2006

Politechnika Wrocławska — Wydział Chemiczny – stopień dr. hab. nauk chemicznych (chemia teoretyczna)

1998

Politechnika Wrocławska — Wydział Chemiczny – stopień dr. nauk chemicznych (chemia kwantowa)

1994

Politechnika Wrocławska — Wydział Chemiczny – tytuł mgr. inż. chemii (chemia kwantowa)

Staże naukowe

2000 - 2003 (krótkoterminowe staże)

Jackson State University — Computational Center for Molecular Structure and Interactions, Jackson, MS, USA – visiting researcher

Nagrody

Wielokrotnie nagradzany za działalność naukową i dydaktyczną nagrodami Rektora Politechniki Wrocławskiej (w latach 2003, 2004, 2006, 2008, 2011, 2013, 2016). Ekspert panelu ST4 (Chemia) Narodowego Centrum Nauki od 2016 roku.

Inne najważniejsze wyróżnienia:

2018 – członek komitetu redakcyjnego Journal of Computational Methods in Sciences and Engineering (IOS Press)
2012 – laureat zespołowej nagrody Rektora Uniwersytetu Mikołaja Kopernika;
2008 – laureat zespołowej nagrody Rektora Uniwersytetu Mikołaja Kopernika;
2006 – laureat zespołowej nagrody Ministra Nauki i Szkolnictwa Wyższego;
1999 – laureat stypendium krajowego Fundacji na rzecz Nauki Polskiej dla młodych naukowców.

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
M. T. P. Beerepoot, Md. M. Alam, J. Bednarska, W. Bartkowiak, K. Ruud and R. Zaleśny, Benchmarking the Performance of Exchange-Correlation Functionals for Predicting Two-Photon Absorption Strengths, J. Chem. Theory Comput., 2018, 14, 3677–3685. Cite
1
B. Jędrzejewska, A. Grabarz, W. Bartkowiak and B. Ośmiałowski, Spectral and physicochemical properties of difluoroboranyls containing N,N-dimethylamino group studied by solvatochromic methods, Spectrochim. Acta A Mol. Biomol. Spectrosc., 2018, 199, 86–95. Cite
1
M. Chołuj, J. Kozłowska and W. Bartkowiak, Benchmarking DFT methods on linear and nonlinear electric properties of spatially confined molecules, Int. J. Quantum Chem., 2018, 118, e25666. Cite
1
M. Menšík, P. Toman, U. Bielecka, W. Bartkowiak, J. Pfleger and B. Paruzel, On the methodology of the determination of charge concentration dependent mobility from organic field-effect transistor characteristics, Phys. Chem. Chem. Phys., 2018, 20, 2308–2319. Cite
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
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
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
U. Bielecka, K. Janus and W. Bartkowiak, in Proc. SPIE, 2014, vol. 9185, pp. 91850E-91850E–7. Cite
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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
1
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