Dr. Hossam Elgabarty

Theoretische Chemie
PostDoc
Group Leader
E-Mail:
hossam.elgabarty@uni-paderborn.de
Phone:
+49 5251 60-5787
ORCID:
0000-0002-4945-1481
Web:
Homepage
Office Address:
360直播吧 Str. 100
33098 Paderborn
Room:
NW1.726
Theoretical Chemistry - Research Group Brehm
Docent

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).

DOI

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).

DOI

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 11 (2024) 2400476.

DOI

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).

DOI

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