Rozsályi, Emese


Emese Rozsályi, Ph.D.
Postdoctoral Fellow

Phone: +36 1 392 2222 ext. 1858
Fax:     +36 1 395 9151
email: rozsalyi.emese (at) wigner.mta.hu

After successfully completing a combined multidisciplinary program in 2012, Ms. Emese Rozsályi received a Ph.D. in Physics from the University of Debrecen and a Ph.D. in Theoretical Chemistry from the University Claude Bernard Lyon 1. Her initial research involved analysis of the charge transfer mechanism in collision of multiply charged ions with small molecular targets. Subsequently her research interests were solidified, and she joined Prof. Vankó's research group to perform quantum chemistry molecular electronic structure computations on transition metal complexes.

Positions

2013 -Postdoctoral Fellow at the Wigner Research Centre for Physics, Hungarian Academy of Sciences

Degrees

2012:Ph.D. in Physics, University of Debrecen, Hungary
2012:Ph.D. in Theoretical Chemistry, University Claude Bernard Lyon 1, France
2009:M.Sc. in Teacher of Mathematics, University of Debrecen, Institute of Mathematics, Hungary
2006:M.Sc. in Teacher of Physics, University of Debrecen, Faculty of Science and Technology, Hungary
2006:M.Sc. in Physics, University of Debrecen, Faculty of Science and Technology, Hungary

Fellowships

2014/2016:MTA Postdoctoral Research Fellowship
2011/2012:Predoctoral fellowship supported by the TÁMOP project, University of Debrecen, Hungary
2010/2011:Bourse Accueil Doc de la Région Rhône Alpes, Laboratory of Ion and Molecular Spectrometry, University Claude Bernard Lyon 1, France

Doctoral Summer Schools

2014:Theory and Spectroscopy Summer School, Gelsenkirchen, Germany
2011:European School on the Dynamics of Molecular Excited States Induced by Ultrashort Pulses, Zaragoza, Spain

Selected Scientific Visits

2014 (1 month):Sorbonne University, UPMC, Institute of Mineralogy and Condensed Matter Physics, France
2010 (2 months):Autonomous University of Madrid, Department of Chemistry, Spain
2009 (1 month):Short Term Scientific Mission, COST CM0702, Laboratory of Ion and Molecular Spectrometry, University Claude Bernard Lyon 1, France

    Research interest
  • First-principles modelling of X-ray absorption spectra;
  • Electronic structure calculations on transition metal complexes using density functional theory;
  • Nonadiabatic interactions in molecular systems;
  • Ab initio treatment of charge exchange in ion-molecule collisions.

Publications

  1. L. Verger, O. Dargaud, G. Rousse, E. Rozsályi, A. Juhin, D. Cabaret, M. Cotte, P. Glatzel, L. Cormier:
    Spectroscopic properties of Cr3+ in the spinel solid solution ZnAl2-xCrxO4,
    Phys. Chem. Min. 43, 33 (2016).
  2. Gy. Vankó, A. Bordage, M. Pápai, K. Haldrup, P. Glatzel, A. M. March, G. Doumy, A. Britz, A. Galler, T. Assefa, D. Cabaret, A. Juhin, T. B. van Driel, K. S. Kjær, A. Dohn, K. B. Møller, H. T. Lemke, E. Gallo, M. Rovezzi, Z. Németh, E. Rozsályi, T. Rozgonyi, J. Uhlig, V. Sundström, M. M. Nielsen, L. Young, S. H. Southworth, C. Bressler, W. Gawelda:
    Detailed Characterization of a Nanosecond-Lived Excited State: X‑ray and Theoretical Investigation of the Quintet State in Photoexcited [Fe(Terpy)]22+,
    J. Phys. Chem. C 119, 5888 (2015).
  3. L. A. Fredin, M. Pápai, E. Rozsályi, Gy. Vankó, K. Wärnmark, V. Sundström, P. Persson:
    Exceptional Excited-State Lifetime of an Iron(II)–N-Heterocyclic Carbene Complex Explained,
    J. Phys. Chem. Lett. 5, 2066 (2014).
  4. M. C. Bacchus-Montabonel, E. Rozsályi, E. Bene, G. J. Halász, Á. Vibók:
    Non-adiabatic interactions in charge transfer collisions,
    Cent. Eur. J. Phys. 11, 1149 (2013).
  5. E. Rozsályi, L. F. Errea, L. Méndez, I. Rabadán:
    Ab initio calculation of charge transfer in proton collisions with N2,
    Phys. Rev. A 85, 042701 (2012).
  6. E. Rozsályi, E. Bene, G. J. Halász, Á. Vibók, M. C. Bacchus-Montabonel:
    Analysis of the charge transfer mechanism in ion-molecule collisions.
    Advances in the Theory of Quantum Systems in Chemistry and Physics;
    Progress in Theoretical Chemistry and Physics; 22, 355 (2012), ISBN 978-94-007-2075-6, Springer.
  7. E. Rozsályi, E. Bene, G. J. Halász, Á. Vibók, M. C. Bacchus-Montabonel:
    Ab initio study of charge transfer dynamics in collisions of C2+ ions with hydrogen chloride,
    Phys. Rev. A 83, 052713 (2011).
  8. E. Rozsályi, E. Bene, G. J. Halász, Á. Vibók, M. C. Bacchus-Montabonel:
    Theoretical treatment of charge transfer in collisions of C2+ ions with HF: Anisotropic and vibrational effect,
    Phys. Rev. A 81, 062711 (2010).
  9. E. Bene, E. Rozsályi, Á. Vibók, G. J. Halász, M. C. Bacchus-Montabonel:
    Theoretical treatment of direct and indirect processes in ion-biomolecule collisions,
    AIP Conf. Proc. 1080, 59 (2008).