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Khaled Kahouli


Technische Universität Berlin
Machine Learning for Molecular Simulation in Quantum Chemistry

Marchstraße 23, 10587 Berlin


Khaled Kahouli

Doctoral Researcher

Khaled Kahouli is a PhD student in the Machine Learning Group at TU Berlin and a member of the BIFOLD graduate school. He completed his M.Sc in Computer Science at TU Berlin in 2023, specializing in generative modeling in quantum chemistry. Since 2023, his research has been centered on generative models, specifically focusing on molecule generation and structure optimization.

  • Generative Models
  • Machine Learning for Quantum Chemistry
  • Graph Neural Networks

Khaled Kahouli, Stefaan Simon Pierre Hessmann, Klaus-Robert Müller, Shinichi Nakajima, Stefan Gugler, Niklas Wolf Andreas Gebauer

Molecular relaxation by reverse diffusion with time step prediction

April 16, 2024