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ozakary/README.md

Hi there 👋 I'm Ouail Zakary

Computational Chemist | Postdoc @ University of Oulu, Finland 🇫🇮

🔭 Currently working on: Machine learning approaches for molecular systems under real physicochemical conditions

🌱 Research focus: Graph neural networks, Kernel methods, and Gaussian Process regression for interatomic potentials and NMR parameter models

Main interest: Integrating quantum mechanics and molecular dynamics with ML for predictive modeling

🎓 Education: Ph.D. in Physics (Le Mans Université, France) - "Structural Modeling of Oxygen-Fluorine Ordering in Transition Metal Inorganic Oxyfluorides" - PhD Defense Committee

👨‍🔬 Working with: Dr. Perttu Lantto @ NMR Research Unit

Connect with me:

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  1. data-NaMO2F2 data-NaMO2F2 Public

    Forked from clegein/data-NaMO2F2

    Python 1

  2. data-RbM2O5F data-RbM2O5F Public

    Python 1

  3. data-Xe_at_CC3_at_TBA data-Xe_at_CC3_at_TBA Public

    Python 1

  4. TrajSlicer TrajSlicer Public

    Python 1

  5. water-pimd-simulations water-pimd-simulations Public

    Jupyter Notebook 1

  6. NMR-MatTen NMR-MatTen Public

    Python 1