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NabKh/README.md

πŸ‘‹ Hi, I'm Nabil Khossossi (Nab)

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πŸ”¬ Postdoctoral Researcher | AI-Driven Materials Discovery | Computational Chemistry

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πŸ”¬ About Me

I'm a computational materials scientist at the Dutch Institute for Fundamental Energy Research (DIFFER), working at the intersection of quantum chemistry, machine learning, and autonomous materials discovery. My research focuses on developing physics-informed AI frameworks for accelerating the discovery of next-generation energy materials.


Current Research:

  • πŸ€– AI4Mat Self-driving Laboratory for autonomous materials optimization
  • ⚑ Physics-informed ML for high-efficiency photovoltaic materials
  • πŸ§ͺ Multi-objective catalyst discovery using active learning

🀝 Let's Collaborate!

I'm actively seeking collaborations in:

  • πŸ”¬ AI-driven materials discovery platforms
  • 🌱 Sustainable energy materials (solar cells, catalysts)
  • πŸ€– Self-driving laboratories and autonomous experimentation
  • πŸ“Š Large-scale materials databases and informatics

Looking for: Assistant Professor positions in computational materials science, ML for chemistry, and device acceleration platforms.

πŸ“§ Email: [your.email@domain.com]
🌐 Website: sustai-nabil.com
πŸ’Ό Open to: Faculty positions | Research collaborations | Consulting


"Bridging quantum mechanics, machine learning, and materials innovation"

⭐ Star my repositories if you find them useful!

Popular repositories Loading

  1. Quantum_Espresso_Tutorials Quantum_Espresso_Tutorials Public

    The tutorials below show how to compute the optimizations, electronic band structure and vibrational modes of bulk MoS2 using Quantum Espresso.

    Gnuplot 3

  2. VASP-Tools VASP-Tools Public template

    VASP-Tools is a collection of Python scripts designed to streamline various tasks related to the Vienna Ab initio Simulation Package (VASP). These tools are intended for researchers and engineers w…

    Python 3

  3. IonHopper IonHopper Public

    A Python framework implementing Basin Hopping Monte Carlo algorithm coupled with VASP for studying ion insertion in materials.

    Python 3

  4. DFT_Python-Tools DFT_Python-Tools Public

    Density functional theory: Quantum Espresso & Projected Electronic Band Structure

    Python 2

  5. VASP_OpticalP VASP_OpticalP Public

    The optical properties of 2D materials with the VASP code

    2 2

  6. Basin_Hopping-QE Basin_Hopping-QE Public

    Basin-Hopping Monte Carlo (BHMC) algorithm coupled with density functional theory (Quantum espresso) package for unbiased global optimization of clusters and nanoparticles

    Python 2 1