Dr. Fadwa El-MellouhiSenior Scientist | Theory, Modeling, and Simulation
Dr. El Mellouhi is interested in atomistic and ab initio calculations of Materials for Photovoltaics and Electrochemical Energy storage; Computational design of promising materials for alternative energy such as hybrid perovskites, transition metal oxides; Advanced atomistic simulation based on force fields to tackle problems like nanocluster formation, nanostructure growth, corrosion, alloying and interfaces.
- PhD in Physics, University of Montreal, Montreal / Canada. 2006
- Diploma in Condensed Matter Physics, The Abdus Salam ICTP (International Centre for Theoretical Physics) Trieste, Italy 2001
- M.Sc. in Computational Materials Science, Djillali Liabes University, Algeria 2000
- B.Sc. in Condensed Matter Physics, Djillali Liabes University, Algeria 1995
Dr. El-Mellouhi’s research is in the field of computational materials science and design applied to photovoltaics, fuel cells, batteries and corrosion. She uses electronic structure calculations, various energy landscape exploring methods coupled with force fields as well as Kinetic-Monte Carlo modeling. She also has interest in High performance computing, Computer aided discoveries and Science Outreach. She is involved in the development promising simulation programs aimed to study problems long outside of reach of computer simulations, such as, nanocluster formation, nanostructure growth, corrosion, alloying and interfaces in metals. Prior to joining QEERI, Dr. El-Mellouhi held the position of Assistant Research Scientist Texas A&M University at Qatar (TAMUQ). Before that, she worked as Postdoctoral Researcher at the Physics department of Université de Montréal. She has numerous peer reviewed publications as well as scientific and outreach national and international talks.
- The Corbett Award for best junior scientist contribution at the 24th edition of the International Conference on Defects in Semiconductors, Albuquerque, USA 2007
- National Science Foundation funding to attend a workshop at Institute for Pure and Applied Mathematics (IPAM), Los Angeles, USA 2005
- Graduate student excellence fellowship, awarded twice Physics Department, Montreal University, Montreal, Canada. 2003
- Exemption from differential tuition fees, selection based on excellence of academic records Quebec government, Canada. 2001-2003
- Diploma program scholarship from UNESCO and IAEA for the full academic year at ICTP Trieste, Italy 2000
- 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 to be published in Nature Communications (NPG). http://arxiv.org/abs/1410.8365
- Normand Mousseau, Peter Brommer, Jean-Francois Joly, Laurent Karim Beland, Fedwa El Mellouhi, Gawonou Kokou N’Tsouaglo, Oscar Restrepo , Mickal Trochet: Following atomistic kinetics on experimental timescales with the kinetic Activation-Relaxation Technique Computational Materials Science 100 (2015) 111–123 (doi:10.1016/j.commatsci.2014.11.047).
- G. Ramos-Sanchez; M. Albornoz; Y-H. Yu; Z. Cheng; V. Vasiraju; S. Vaddiraju; Fedwa El Mellouhi; P. B. Balbuena; Organic Molecule-Functionalized Zn3P2 Nanowires for Photochemical H2 Production: DFT and Experimental Analyses. Int. J. of Hydrogen Energy vol 39, 35 19887–19898 (2014) doi:10.1016/j.ijhydene.2014.10.028
- Fedwa El Mellouhi, E. N. Brothers, M. J. Lucero and G. E. Scuseria: The role of screened exact exchange in accurately describing properties of transition metal oxides: Modeling defects in LaAlO3 Physical Review B 88, 214102 (2013) http://dx.doi.org/10.1103/PhysRevB.88.214102