Houda Khattab

Doctoral Researcher in Computational Condensed Matter Physics

Skhirat-Temara, MA.

About

Highly accomplished Doctoral Researcher in computational materials science specializing in theoretical modeling for sustainable energy, with a strong record of publications in high-impact journals. Leverages advanced atomistic simulations, primarily Density Functional Theory (DFT) and ab initio molecular dynamics (AIMD), to engineer next-generation energy materials for alkali-metal ion batteries and efficient hydrogen production. Seeking a Postdoctoral role to contribute to cutting-edge research and development in sustainable energy technologies.

Work

Mohammed V University of Rabat

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Teaching Assistant

Rabat, , Morocco

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Summary

Directed practical work sessions for undergraduate Physics students, enhancing hands-on learning and foundational knowledge in key scientific disciplines.

Highlights

Guided over 100 undergraduate students through practical work sessions in Physics II (Electricity, Optics, Thermodynamics, and Mechanics), fostering hands-on learning and reinforcing foundational scientific knowledge.

Developed and delivered engaging instructional materials, resulting in improved student comprehension and experimental proficiency.

Provided individualized support and mentorship to students, contributing to their academic success and problem-solving skills in complex physics concepts.

Mohammed V University of Rabat

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Doctoral Researcher

Rabat, , Morocco

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Summary

Led multi-scale computational modeling of 2D materials to advance renewable energy applications, contributing to high-impact journal publications.

Highlights

Pioneered the application of advanced computational models, including DFT, AIMD, and Monte Carlo, to analyze electrochemical and physical properties of materials for Li/Na-ion batteries and hydrogen storage, resulting in multiple Q1 journal publications.

Investigated and optimized strain engineering, heterostructures, and doping strategies to significantly enhance battery performance and energy conversion system efficiency.

Published 5 articles in high-impact Q1 journals (IF 8.1 - 9.8) on novel 2D materials, heterostructures, and strain effects for sustainable energy applications.

Contributed to the development of next-generation energy materials through rigorous theoretical modeling and simulation, bridging fundamental science with real-world energy solutions.

International University of Rabat (UIR)

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Research Intern

Rabat, , Morocco

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Summary

Gained hands-on experience in modeling and simulating 2D nanomaterials for energy storage and optoelectronic applications, integrating computational and experimental validation techniques.

Highlights

Applied computational analysis and experimental validation techniques to model and simulate 2D nanomaterials, contributing to advancements in energy storage and optoelectronic applications.

Collaborated on research projects focused on material science, gaining practical experience in data interpretation and scientific reporting.

Developed proficiency in specialized software and methodologies for nanomaterial characterization and performance prediction.

Education

Mohammed V University of Rabat

Rabat, , Morocco
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Ph.D. in Physics Condensed Matter and Materials Science

Courses

Graphene heterostructures

Black phosphorene

Fast-charging

DFT

Ionic diffusion

Battery anodes

AIMD

Li/Na-ion batteries

Energy production and storage

Mohammed V University of Rabat

Rabat, , Morocco
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Master's Degree Computational Physics

Mohammed V University of Rabat

Rabat, , Morocco
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Bachelor's Degree Physics of Matter

ANNASSIM High School

Temara, , Morocco
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Scientific Baccalaureate Experimental Sciences

Awards

Honorable mention for master's thesis research

Mohammed V University of Rabat

Received an honorable mention for master's thesis research on computational modeling of materials for energy applications, recognizing excellence in academic research.

Publications

Mechanically Reinforced Graphene Heterostructure Anodes Co-optimizing Ultrafast Ion Diffusion and High Storage Capacity for Li/Na-Ion Batteries.

Journal of Energy Storage

Published in a Q1 journal with an Impact Factor of 9.8, this research details novel graphene heterostructure anodes for enhanced Li/Na-ion battery performance.

Anisotropic Strain Effects on Phosphorene/Graphene Heterostructure: A Pathway to Enhanced Properties for Sustainable Energy Applications.

Renewable Energy

Featured in a Q1 journal with an Impact Factor of 9.3, this study explores anisotropic strain effects to optimize phosphorene/graphene heterostructures for sustainable energy.

High-efficiency photocatalytic hydrogen production from monolayer Bi2S4: A first-principles study.

International Journal of Hydrogen Energy

Published in a Q1 journal with an Impact Factor of 8.3, this research investigates high-efficiency photocatalytic hydrogen production using monolayer Bi2S4 via first-principles study.

An ab-initio study of the adsorption of H2O, NaCl, and salt water on Graphite and Graphene.

IntechOpen book chapter

Contributed to a book chapter detailing an ab-initio study on the adsorption of water and salt on graphite and graphene surfaces.

P6C5 monolayer as promising anode for high-performance sodium-ion batteries: Insights from DFT and AIMD study.

Journal of Power Sources

Published in a Q1 journal with an Impact Factor of 8.1, this study presents P6C5 monolayer as a promising anode material for high-performance sodium-ion batteries.

Languages

Arabic

French

English

Skills

Technical & Research Skills

Atomistic Modeling, Quantum Espresso, Wien2k, LAMMPS, Yambo, BoltzTrap, ANSYS, COMSOL, Simulation Methods, DFT (Density Functional Theory), AIMD (Ab Initio Molecular Dynamics), Monte Carlo, Data Analysis, Nanostructure Design, Publishing, Electrochemical Storage, Strain Engineering, Heterostructures, Doping Strategies, Energy Conversion Systems, 2D Materials, Li/Na-ion Batteries, Hydrogen Storage.

Software & Programming

Python, C, Fortran, Linux, Windows, OriginLab, VESTA, XCrySDen, Microsoft Word, Microsoft Excel, Microsoft PowerPoint.

Professional & Soft Skills

Project Management, Team Collaboration, Leadership, Communication, Problem-Solving, Fast Learner, Adaptability, Ability to Work Under Pressure, Instructional Design, Mentorship.

References

Abdelilah Benyoussef

PES/Expert, Hassan II Academy of Science and Technology, benyous.a@gmail.com

Abdallah El Kenz

PES, Mohammed V University, Rabat, akenzle@yahoo.com

Omar Mounkachi

PH, Mohammed V University, Rabat, Affiliated Professor, UM6P, Ben Guerir, omar.mounkachi@gmail.com

Fatima Ghilan

PES, Mohammed V University, Rabat, ghilan.fatima@um5.ac.ma