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Hire Dr. Abderrahmane S.

Italy

USD 10 /hr

Python coding and scripting, post-processing solutions, data visualisation, Computational Chemistry

Profile Summary

I'm a computational chemist, specialising in the exploration of chemical properties of organic and inorganic systems within complex environments. I use theoretical methods such as molecular dynamics and quantum mechanics and mixed QMMM. With expertise in Python, I offer comprehensive and meticulous post-processing solutions for both quantum mechanics (QM) and molecular mechanics (MM) calculations. Additionally, I excel in creating visually compelling and high-quality figures using matplotlib. My passion lies in unraveling the intricacies of molecular interactions, and I am eager to apply my knowledge and expertise to your projects by helping you post-process and plot your results.

Subject Matter Expertise

• ☆ Materials Science & Engineering
• ☆ Physical Chemistry
• ☆ Chemoinformatics
• ☆ Surface Chemistry
• ☆ Quantum Chemistry
• ☆ Computational Chemistry
• ☆ Data Analysis
• ☆ Computer Simulation/Computational Modeling
• ☆ Python

Services

• Writing
• Research
• Data & AI

Writing General Proofreading & Editing

Research Scientific and Technical Research

Data & AI Data Visualization

Work Experience

Postdoctoral Researcher

University of L'Aquila

January 2023 - Present

Post-Doctoral Fellow

Université de Lorraine Faculté des Sciences et Technologies

March 2020 - Present

Postdoctoral Researcher

Université de Lorraine

March 2020 - December 2022

PhD

Université Hassan II Casablanca

December 2016 - December 2019

Education

Master (Physics)

Université Hassan II Casablanca

June 2016 - Present

PhD (Chemistry)

Université Hassan II - Mohammadia - Morocco

January 2017 - December 2019

Certifications

• PhD in Computational Chemistry

  Université Hassan II

  December 2019 - Present

Publications

JOURNAL ARTICLE

Abderrahmane Semmeq, Michael Badawi, Abdellatif Hasnaoui, Said Ouaskit, Antonio Monari (2020). DNA Nucleobase under Ionizing Radiation: Unexpected Proton Transfer by Thymine Cation in Water Nanodroplets . Chemistry – A European Journal.

(2019). Ab initio study of the stepwise vs concerted fragmentation pathways in microhydrated thymine radical cations . Chemistry – A European Journal.

(2019). Electronic structure and optical properties of isolated and TiO 2 ‐grafted free base porphyrins for water oxidation: A challenging test case for DFT and TD‐DFT . Journal of Computational Chemistry.

Abderrahmane Semmeq, Said Ouaskit, Antonio Monari, Michael Badawi(2019). Ionization and fragmentation of uracil upon microhydration . Physical Chemistry Chemical Physics. Royal Society of Chemistry ({RSC})

Abderrahmane Semmeq, Said Ouaskit, Antonio Monari, Michael Badawi(2019). Ionization and fragmentation of uracil upon microhydration . Physical Chemistry Chemical Physics. Royal Society of Chemistry ({RSC})

Abderrahmane Semmeq, Fatma Temmar, Abdelkader Boudali, Fatima Driss Khodja, Hayat Moujri(2018). Calculations of the Structural, Elastic, Magnetic, and Electronic Properties of the New Compound BaZr0.5Mn0.5O3 with Tetragonal Structure . Journal of Superconductivity and Novel Magnetism. 31. (10). p. 3339--3346. Springer Nature America, Inc