プロフィール詳細

プロジェクトを作成

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Dr. Abderrahmane S.に依頼

Italy

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

プロフィール概要

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.

専門分野

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

サービス

• Writing
• Research
• Data & AI

Writing General Proofreading & Editing

Research Scientific and Technical Research

Data & AI Data Visualization

職務経験

Postdoctoral Researcher

University of L'Aquila

1月 2023 - 現在

Post-Doctoral Fellow

Université de Lorraine Faculté des Sciences et Technologies

3月 2020 - 現在

Postdoctoral Researcher

Université de Lorraine

3月 2020 - 12月 2022

PhD

Université Hassan II Casablanca

12月 2016 - 12月 2019

学歴

Master (Physics)

Université Hassan II Casablanca

6月 2016 - 現在

PhD (Chemistry)

Université Hassan II - Mohammadia - Morocco

1月 2017 - 12月 2019

認定資格

• PhD in Computational Chemistry

  Université Hassan II

  12月 2019 - 現在

出版物

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). Microsoft.AspNetCore.Mvc.Localization.LocalizedHtmlString 3339--3346. Springer Nature America, Inc