Fadwa El Mellouhi | Hamad Bin Khalifa University
Hamad Bin Khalifa University


Fadwa El Mellouhi

Fadwa El Mellouhi (PhD)

Senior Scientist
Qatar Environment and Energy Research Institute QEERI

  • Phone+974 445 472 84
  • Office location465, Floor 1, HBKU-RDC- North


Accomplished senior scientist with more than 15 years' experience in Computational Materials Science and Nanotechnology including strong and diversified North American University experience.

Fadwa has expertise in applying both atomistic and electronic structure computational methods to materials science within a high-performance computing environment.

She uses state-of-the-art computational quantum chemistry and physics tools to investigate the structural and electronic properties of promising materials for photovoltaics and batteries such as transition metal oxides, hybrid perovskites, semiconductors and nanostructures.

Fadwa is an  expert in applying advanced simulations based on electronic structure theory for crystal structure prediction and computational materials design, nanocluster formation, nanostructure growth, corrosion, alloying and interfaces using start-of-the-art techniques.

She has solid experience of proposal writing, fundraising, reporting, grant management, and science outreach.


Research Interests


Senior Scientist

QEERI Qatar Environment and Energy Research Institute, Hamad Bin Khalifa University

  • Assistant Research Scientist

    Texas A&M University at Qatar, Doha, Qatar

  • Postdoctoral Researcher

    Texas A&M University at Qatar, Doha, Qatar

  • Postdoctoral Researcher

    University of Montreal, Canada



PhD in physics

University of Montreal, Montreal (Canada)

  • Diploma in physics

    The Abdus Salam ICTP (International Centre for Theoretical Physics) Trieste, Italy


Selected Publications

  • Fedwa El-Mellouhi, Akinlolu Akande, Carlo Motta, Sergey Rashkeev, Golibjon Berdiyorov, Mohamed El-Amine El Amine madjet, Asma Marzouk, El Tayeb Bentria, Stefano Sanvito, Sabre Kais and Fahhad Hussain Al Harbi

    Solar cells materials by design: Hybrid pyroxene corner-sharing VO4 tetrahedral chains ChemSusChem 10, 1931 – 1942 (2017)(IF 7.116) http://dx.doi.org/10.1002/cssc.201700121

  • Fedwa El-Mellouhi, El Tayeb Bentria, Asma Marzouk, Sergey N. Rashkeev, Sabre Kais, and Fahhad H. Alharbi

    Hydrogen Bonding: A Mechanism for Tuning Electronic and Optical Properties of Hybrid Organic – Inorganic Frameworks (NPJ computational ) 2 16035 (2016) http://dx.doi.org/10.1038/npjcompumats.2016.35

  • 23. Carlo Motta, Fedwa El Mellouhi, Sabre Kais, Nouar Tabet, Fahhad Alharbi, and Stefano Sanvito:

    Revealing the role of organic cations in hybrid halide perovskites CH3NH3PbI3 Nature Communications (IF 11.47) 6, Article number:7026 (2015) (doi:10.1038/ncomms8026)

  • Fedwa El-Mellouhi, Asma Marzouk, El Tayeb Bentria, Sergey N Rashkeev, Sabre Kais, and Fahhad H Alharbi,

    Hydrogen Bonding and Stability of Hybrid Organic-Inorganic Perovskites Chem Sus Chem 18, 2648 (2016) (IF 7.116) http://dx.doi.org/10.1002/cssc.201600864

  • Fernando A. Soto, Pengfei Yan, Mark H. Engelhard, Asma Marzouk, Chongmin Wang, Guiliang Xu, Zonghai Chen, Khalil Amine, Jun Liu, Vincent L. Sprenkle, Fedwa El-Mellouhi, Perla B. Balbuena, Xiaolin Li

    Tuning the Solid Electrolyte Interphase for Selective Li and Na-ion Storage in Hard Carbon Advanced Materials 29, 1606860 (2017) (IF 15.23) http://dx.doi.org/10.1002/adma.201606860