Dr. Hossam Elgabarty

Theoretische Chemie
PostDoc
Group Leader
Office Address:
365足彩投注_365体育投注@ Str. 100
33098 Paderborn
Room:
NW1.726

Publications

Latest Publications

Isostructural Series of a Cyclometalated Iron Complex in Three Oxidation States

J. Steube, L. Fritsch, A. Kruse, O.S. Bokareva, S. Demeshko, H. Elgabarty, R. Schoch, M. Alaraby, H. Egold, B. Bracht, L. Schmitz, S. Hohloch, T.D. Kühne, F. Meyer, O. Kühn, S. Lochbrunner, M. Bauer, Inorganic Chemistry (2024).


Ultrafast Two‐Color X‐Ray Emission Spectroscopy Reveals Excited State Landscape in a Base Metal Dyad

M. Nowakowski, M. Huber‐Gedert, H. Elgabarty, A. Kalinko, J. Kubicki, A. Kertmen, N. Lindner, D. Khakhulin, F.A. Lima, T. Choi, M. Biednov, L. Schmitz, N. Piergies, P. Zalden, K. Kubicek, A. Rodriguez‐Fernandez, M.A. Salem, S.E. Canton, C. Bressler, T.D. Kühne, W. Gawelda, M. Bauer, Advanced Science (2024).


Understanding Hydration in CPO‐27 Metal‐Organic Frameworks: Strong Impact of the Chemical Nature of the Metal (Cu, Zn)

M. Klo?, M. Beerbaum, D. Baier, C. Weinberger, F. Zysk, H. Elgabarty, T.D. Kühne, M. Tiemann, Advanced Materials Interfaces (2024) 2400476.


Breaking the exascale barrier for the electronic structure problem in ab-initio molecular dynamics

R. Schade, T. Kenter, H. Elgabarty, M. Lass, T. Kühne, C. Plessl, The International Journal of High Performance Computing Applications (2023).


Ultrafast two-colour X-ray emission spectroscopy reveals excited state landscape in a base metal dyad

M. Nowakowski, M. Huber-Gedert, H. Elgabarty, J. Kubicki, A. Kertem, N. Lindner, D. Khakhulin, F.A. Lima, T.-K. Choi, M. Biednov, N. Piergies, P. Zalden, K. Kubicek, A. Rodriguez-Fernandez, M.A. Salem, T. Kühne, W. Gawelda, M. Bauer, Arxiv (2023).


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Teaching


Current Courses

  • Wissenschaftliche Praxis
  • Statistische Messdatenanalyse
  • Quantum Mechanics in Materials Science
  • Computerchemie
  • Atomistic Dynamics of Materials
  • Artificial Intelligence in Materials Science