Adam Kubas

Dr hab. Adam Kubas, prof. IPC PAS
Associate Professor at the Institute of Physical Chemistry, Polish Academy of Sciences (IPC PAS)
Director of the IPC PAS
CoopCat group leader

Phone:  (+48) 22 343 33 56

ORCID: 0000-0002-5508-0533
ResearcherID/Publons: B-4005-2012
Publication list in Google Scholar
ResearchGate profile


  • 2019 Habilitation (IPC PAS, Warsaw, Poland)
  • 2009 – 2012 PhD (Karlsruhe Institute of Technology, Germany) supervisor: PD dr Karin Fink
  • 2004 – 2009 MSc (Adam Mickiewicz University, Poznan, Poland) supervisors: Prof. Jacek Komasa, Prof. Marcin Hoffmann

Research experience:

2019 – present – Associate Professor at IPC PAS, Warsaw, Poland
2018 – 2020 – Assistant Professor at Warsaw University of Technology, Poland
2019 Research stay at the University of California, Irvine, USA (host: prof. Krzysztof Palczewski)
2019 Research stay at the University of Santiago, Chile (host: Pablo Jaque Olmendo, Phd)
2018 Research stay  at the ETH Zurich (host: prof. Markus Reiher)
2016 – 2019 – Assistant Professor at IPC PAS, Warsaw, Poland
2014 – 2016 – Max-Planck-Institute for Chemical Energy Conversion Postdoctoral Fellow, Muelheim, Germany (with prof. F. Neese)
2012 – 2014 – Research Associate, University College London, UK (with prof. J. Blumberger)
2013 – 2014 – Researcher in AdvaChemLab Sp. z o.o., Poznan, Poland
2009 – 2012 – PhD student at KIT, Karlsruhe, Germany (supervisor: PD dr Karin Fink)
2005 – 2009 – volunteer in the Quantum Chemistry Group at AMU, Poznan, Poland (supervisor: Prof. M. Hoffmann)

Awards and fellowships:

2016 – 2019 Fellowship for young and outstanding scientists of the Ministry of Science and Higher Education of Poland
2017 Finalist of the “Polityka” Scientific Prize
2017 Laureate of the young scientists’ competition organised during XLIX Polish Annual Conference on Catalysis, Krakow, Poland
2014 – 2016 Max Planck Institute Fellowship
2011 Karlsruhe House of Young Scientists scholarship for participation in Gordon Research Conference (GRC)
2005 – 2009 Scientific scholarship of the Department of Chemistry, Adam Mickiewicz University in Poznań, Poland
2008 – 2009 Scientific scholarship of the Ministry of Science and Higher Education of Poland
2004 Laureate of 50th Chemistry Olympiad, polish edition

Selected presentations:

2024 Invited seminar during Organic Chemistry Seminar Series at the Karlsruhe Institute of Technology, Karslruhe, Germany
2023 Invited talk at the 65th Meeting of the Polish Chemical Society, Torun, Poland
2021 Invited talk at the 7th ORCA Users Meeting Online
2021 Invited lecture at the Seminar series at the Department of Chemistry, Adam Mickiewicz University in Poznan, Poland
2019 Invited lecture at the Seminar series at the Department of Physics, University of Warsaw, Poland
2019 Invited talk at the 17th Central European Symposium on Theoretical Chemistry, Stadtschlaining, Austria
2019 Invited talk at the Theoretical Chemistry Seminar, University of Santiago, Chile
2019 Invited talk at 5th Quantum Bioinorganic Chemistry Conference, Marseille, France
2017 Invited talk at the Extracellular Electron Transfer: Mechanisms and opportunities, Norwich, UK
2017 Plenary talk at the 3rd EMBO Workshop on Computational and Structural Biology, Serock, Poland
2017 Invited lecture at the Seminar series in Centre of New Technologies, Warsaw University, Poland
2016 Invited lecture at the Theoretical Chemistry Seminar, University of Bonn, Germany
2015 Invited lecture at the Physical Chemistry Seminar, Department of Chemistry – Ångström Laboratory, Uppsala, Sweden

Selected papers:
(full list – see Google Scholar)

  1. J. Pogrebetsky, A. Siklitskaya, A. Kubas
    “MP2-Based Correction Scheme to Approach the Limit of a Complete Pair Natural Orbitals Space in DLPNO-CCSD (T) Calculations”
    J. Chem. Theory Comput. 2023, 19, 4023
  2. J. D. Hong, D. Salom, M. A. Kochman, A. Kubas, P. D. Kiser, K. Palczewski
    “Chromophore hydrolysis and release from photoactivated rhodopsin in native membranes”
    PNAS 2022, 119, e2213911119
  3. M. Kochman, K. Palczewski, A. Kubas
    “Theoretical study of the photoisomerization mechanism of all-trans-retinyl acetate”
    J. Phys. Chem. A 2021, 125, 8635
  4. A. Siklitskaya, E. Gacka, D. Larowska, M. Mazurkiewicz-Pawlicka, A. Malolepszy, L. Stobiński, B. Marciniak, A. Lewandowska-Andrałojć, A. Kubas
    “Lerf–Klinowski-type models of graphene oxide and reduced graphene oxide are robust in analyzing non-covalent functionalization with porphyrins”
    Sci. Rep. 2021, 11, 7977
  5. A. Kubas
    “How the Donor/Acceptor Spin States Affect the Electronic Couplings in Molecular Charge-Transfer Processes?”
    J. Chem. Theory Comput.
    2021, 17, 2917
  6. A. Kubas
    “Characterization of charge transfer excited states in [2Fe–2S] iron–sulfur clusters using conventional configuration interaction techniques”
    Theor. Chem. Acc.
    2020, 139, 1
  7. A. Kubas, M. Verkamp, J. Vura-Weis, F. Neese, D. Maganas
    “A Restricted Open-Shell Configuration Interaction Singles Study on M- and L-edge X-ray Absorption Spectroscopy of Solid Chemical Systems”
    J. Chem. Theory Comput. 2018, 14, 4320
  8. A. Kubas, P. Maszota
    “Theoretical Insights into the Unique Ligation of [Fe4S4] Iron–Sulfur Clusters”
    Eur. J. Inorg. Chem. 2018, 20, 2419
  9. A. Kubas, J. Noak, A. Trunschke, R. Schlögl, F. Neese, D. Maganas
    “A combined experimental and theoretical spectroscopic protocol forthe determination of the structure of heterogeneous catalyst: developing the information content of the resonance Raman spectra of M1 MoVOx”
    Chem. Sci. 2017, 8, 6338
  10. A. Kubas, C. Orain, D. De Sancho, L. Saujet, M. Sensi, C. Gauquelin, I. Meynial-Salles, P. Soucaille, H. Bottin, C. Baffert, V. Fourmond, R. Best, J. Blumberger, C. Léger
    Mechanism of O2 diffusion and reduction in FeFe hydrogenases”
    Nat. Chem. 2017, 9, 88.
  11. A. Kubas, D. Berger, H. Oberhofer, D. Manganas, K. Reuter, F. Neese
    “Surface adsorption energetics studied with “gold standard” wavefunction based ab initio methods: Small molecule binding to TiO2(110)”
    J. Chem. Phys. Lett. 2016, 7, 4207.
  12. A. Kubas, F. Gajdos, A. Heck, H. Oberhofer, M. Elstner, J. Blumberger
    “Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations. II.”
    Phys. Chem. Chem. Phys. 2015, 17, 14342.
  13. A. Kubas, F. Hoffmann, A. Heck, H. Oberhofer, M. Elstner, J. Blumberger
    “Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT and FODFTB against high-level ab initio calculations”
    J. Chem. Phys. 2014, 140, 104105.
  14. A. Kubas, D. De Sancho, R. Best, J. Blumberger
    “Aerobic Damage to [FeFe]-Hydrogenases: Activation Barriers for the Chemical Attachment of O2
    Angew. Chem. Int. Ed. 2014, 53, 4081.

Membership in scientific societes:

  • Polish Chemical Society
  • Polish Catalysis Club
  • Quantum Bioinorganic Society
  • Honorary member of the Scientific Association of Chemistry Students at A. Mickiewicz University in Poznań, Poland