Profile Details

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Hire Dr. Bouabbaci H.

Algeria

USD 35 /hr

Computational Chemist | DFT, Molecular Modeling & Drug Design Specialist

Profile Summary

I am a computational chemist with a PhD in theoretical and computational chemistry. I specialize in density functional theory (DFT), molecular modeling, and quantum chemical simulations using Gaussian and related software. My research experience includes studying electronic structure, optical properties, and reaction mechanisms of molecular systems. I have worked on modeling and analyzing chemical and material systems using advanced computational methods. My interests include drug design, materials modeling, and theoretical investigation of molecular properties.

Subject Matter Expertise

• ☆ Molecular Modeling
• ☆ Quantum Chemistry
• ☆ Computational Chemistry
• ☆ Optics
• ☆ LaTex
• ☆ Drug Discovery
• ☆ Drug Design

Services

• Writing

Writing Technical Writing

Work Experience

Industrial scientific Researcher / Project coordinator

Valencia University

February 2023 - Present

Education

Ph.D

Higher Normal School of Technology Education ENSET Skikda

July 2025 - Present

Certifications

• Computational Chemistry Training

  University / Research Lab

  September 2019 - July 2025

Publications

JOURNAL ARTICLE

Bouabbaci Hayet (2025). A MEDT investigation of mechanism and selectivities of the intramolecular [3+2] cycloaddition reaction of (E)-N-((2-((methylbut-2-en-1-yl)thio)-1H-indol-3-yl)methylene)methanamine-oxide.

Hayet Bouabbaci, Abdelmalek Khorief Nacereddine (2025). Effect of electronic nature of substituent position on the linear and nonlinear optical and physical properties of some quinoline derivatives. A computational study . Molecular Physics.