Sofiene Achour

Tunis University — TN

Chemistry · Physical Sciences

5h-index57citations21works3.02yr avg
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Research Topics

Asymmetric Hydrogenation and Catalysis(6), Machine Learning in Materials Science(5), Metal-Organic Frameworks: Synthesis and Applications(4), Catalysis for Biomass Conversion(4), Advanced Chemical Physics Studies(3)

Publications21 total

Predictive Modeling of Yield Sooting Index Using Machine Learning with Uncertainty Estimation
ACS Omega·2025· 2 citedOpen Access
Machine learning-driven nanoparticle toxicity
Ecotoxicology and Environmental Safety·2025· 14 citedOpen Access
Specific surface area (SSA) of perovskites with uncertainty estimation approach
Computational Materials Science·2025· 2 citedOpen Access
A Hybrid Dft–Machine Learning Approach for Fast Homo–Lumo Gap Prediction in Naphthalene Diimide Mof Linkers
SSRN Electronic Journal·2025Open Access
A Hybrid DFT-Machine Learning Approach for Fast HOMO–LUMO Gap Prediction in Naphthalene Diimide MOF Linkers
SSRN Electronic Journal·2025Open Access
<scp>ML</scp> ‐driven models for predicting <scp> CO <sub>2</sub> </scp> uptake in metal–organic frameworks ( <scp>MOFs</scp> )
The Canadian Journal of Chemical Engineering·2024· 10 citedOpen Access
Author response for "&lt;scp&gt;ML&lt;/scp&gt;‐driven models for predicting &lt;scp&gt;CO&lt;sub&gt;2&lt;/sub&gt;&lt;/scp&gt; uptake in metal–organic frameworks (&lt;scp&gt;MOFs&lt;/scp&gt;)"
2024
Hydrogenation of hexene catalyzed by a ruthenium (<scp>II</scp>) complex with <i>N</i>‐heterocyclic carbene ligands
International Journal of Quantum Chemistry·2024Open Access
Machine Learning-driven models for predicting CO2 Uptake in Metal-Organic Frameworks (MOFs)
Research Square (Research Square)·2024· 1 citedOpen Access
Machine Learning-driven models for predicting CO2 Uptake in Metal-Organic Frameworks (MOFs)
2024· 4 citedOpen Access
Machine Learning-Driven Nanoparticle Toxicity
SSRN Electronic Journal·2024Open Access
Stereoselective 1,2 migration of a boronate complex inside a nanoreactor: QM/MM study
Materials Today Communications·2023Open Access
Olefin Hydrogenation Mechanism Catalyzed by Ruthenium Complexes Containing N-Heterocyclic Carbene Ligands
SSRN Electronic Journal·2022Open Access
Assisted dipeptide bond formation: glycine as a case study
Heliyon·2021· 6 citedOpen Access
Hexene hydrogenation catalysed by the complex monohydrid complexes: A DFT study of associated vs dissociated pathways
Journal of Molecular Graphics and Modelling·2020· 6 cited
Solvent Effect on Dipeptide Bond Formation: Glycine as a Case Study
2019Open Access
A DFT Study of the Hexene Hydrogenation Catalysed by the Complex RuH(CO)(Cl)(PCy3): Monophosphine vs Diphosphine Paths
2019· 1 citedOpen Access
Solvent Effect on Dipeptide Bond Formation: Glycine as a Case Study
2019Open Access
A DFT Study of the Hexene Hydrogenation Catalysed by the Complex RuH(CO)(Cl)(PCy3): Monophosphine vs Diphosphine Paths
2019· 1 citedOpen Access
Proton transfer in the benzimidazolone and benzimidazolthione tautomerism process catalyzed by polar protic solvents
Progress in Reaction Kinetics and Mechanism·2019· 5 citedOpen Access
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Frequent Co-authors

Zied Hosni(19), Bahoueddine Tangour(9), Fatma Saâdi(4), Mohammed M. Al Qaraghuli(3), Christopher D. Syme(3), Yangfan Chen(2), Sarra Darghouthi(2), Sarra Darghouth(2), Ayoub Haj Saı̈d(2), Mahamadou Seydou(1), François Maurel(1), Hasnia Abdeldjebar(1), Yamina Belmiloud(1), Wassila Djitli(1), Méziane Brahimi(1), Jiann-Her Lin(1), Jie Sheng(1), Xianhao Chen(1)