RESEARCH INTERESTS

Quantum chemical calculations
Photophysics of Schiff Bases
Modelling of the moleuclar photoswitches based on ESIPT pheneomenon

REPRESENTATIVE PUBLICATIONS

Modelling of the moleuclar photoswitches based on ESIPT pheneomenon

17. Ehrenfest and classical path dynamics with decoherence and detailed balance,
Nijjar P., Jankowska J., Prezhdo O. V.,
J. Chem. Phys., 150 (2019), 204124. (DOI:10.1063/1.5095810)

16. Efficient Separation of Photogenerated Charges in a Ferroelectric Molecular Wire: Nonadiabatic Dynamics Study on 3,5-Dicyano-1, 7-dimethylopyrrolo [3, 2-f] indole Trimer,
Jankowska J. and Sobolewski A. L.,
ChemPhotoChem, 3 (2019), 187. (DOI:10.1002/cptc.201800222)

15. Persistent Quantum Coherence and Strong Coupling Enable Fast Electron Transfer across the CdS/TiO2 Interface: A Time-Domain ab Initio Simulation,
Mehdipour H., Akimov A. V., Jankowska J., Rezakhanai A. T., Tafreshi S. S., de Leeuw N. H., Moshfegh A. Z., Prezhdo O. V.,
J. Phys. Chem. C, 122 (2018), 25606. (DOI:10.1021/acs.jpcc.8b06425)

14. Computational Structures and SAPT Interaction Energies of HXeSH···H2Y (Y=O or S) Complexes, Inorganics,
Cukras J., Skóra G., Jankowska J., Lundell J.,
(Special Issue: Novel Non-Covalent Interactions), 6 (2018), 100. (DOI:10.3390/inorganics6030100)

13. Real-Time Atomistic Dynamics of Energy Flow in an STM Setup: Revealing the Mechanism of Current-Induced Molecular Emission,
Jankowska J., Prezhdo O. V.,
J. Phys. Chem. Lett., 9 (2018), 3591. (DOI:10.1021/acs.jpclett.8b01331)

12. Recent theoretical progress in the development of perovskite photovoltaic materials,
Zhou X., Jankowska J., Dong H., Prezhdo O. V.,
J. Energy Chem., 27 (2018), 637. (DOI:10.1016/j.jechem.2017.10.010)

11. Strong Influence of Ti Adhesion Layer on Electron-Phonon Relaxation in Thin Gold Films: Ab Initio Nonadiabatic Molecular Dynamics,
Zhou X., Jankowska J., Li L., Giri A., Hopkins P., Prezhdo O. V.,
ACS Appl. Mater. Interfaces, 9 (2017), 43343. (DOI:10.1021/acsami.7b12535)

10. Quantum Dynamics of Photogenerated Charge Carriers in Hybrid Perovskites: Dopants, Grain Boundaries, Local Electric Order and Other Realistic Aspects,
Jankowska J., Long R., Prezhdo O. V.,
ACS Energy Lett., 2 (2017), 1588. (DOI:10.1021/acsenergylett.7b00198)

9. Ferroelectric Alignment of Organic Cations Inhibits Nonradiative Electron–Hole Recombination in Hybrid Perovskites: Ab Initio Nonadiabatic Molecular Dynamics,
Jankowska J., Prezhdo O. V.,
J. Phys. Chem. Lett., 8 (2017), 812. (DOI:10.1021/acs.jpclett.7b00008)

8. Tailoring the Schiff Base Photoswitching – nonadiabatic molecular dynamics study of substituent effect on Excited State Proton Transfer,
Jankowska J., Barbatti M., Sadlej J., Sobolewski A. L.,
Phys. Chem. Chem. Phys., 19 (2017), 5318. (DOI:10.1039/C6CP08545H)

7. Reactive collisions of two ultracold particles in a harmonic trap,
Jankowska J., Idziaszek Z.,
Phys. Rev. A, 93 (2016), 052714. (DOI:10.1103/PhysRevA.93.052714)

6. Ferroelectric molecular field-switch based on double proton transfer process: Static and dynamical simulations,
Rode M. F., Jankowska J., Sobolewski A. L.,
J. Chem. Phys., 144 (2016), 134303. (DOI:10.1063/1.4944963)

5. Electric field control of proton-transfer molecular switching: molecular dynamics study on salicylidene aniline,
Jankowska J., Sadlej J., Sobolewski A. L.,
Phys. Chem. Chem. Phys., 17 (2015), 14484. (DOI:10.1039/C5CP00686D)

4. Photoswitching of Salicylidene Methylamine: a Theoretical Photodynamics Study,
Spörkel, L., Jankowska J., Thiel W.,
J. Phys. Chem. B: Photoinduced Proton Transfer special issue, 119 (2015), 2702-2710.(DOI:10.1021/jp5095678)

3. Excited-State Intramolecular Proton Transfer: Photoswitching in Salicylidene Methylamine Derivatives,
Jankowska J., Rode M. F., Sadlej J., and Sobolewski A. L.,
ChemPhysChem, 15 (2014), 1643. (DOI:10.1002/cphc.201301205)

2. Photophysics of Schiff Bases: Theoretical Study of Salicylidene Methylamine,
Jankowska J., Rode M. F., Sadlej J., and Sobolewski A. L.,
ChemPhysChem, 13 (2012), 4287-4294. (DOI:10.1002/cphc.201200560)

Molecular interactions

1. Spectroscopic parameters In noble gas molecule: HXeF and its complex with HF,
Jankowska J. and Sadlej J.,
Chemical Physics Letters, 517 (2011) 155–161. DOI:10.1016/j.cplett.2011.10.034)