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at least one mainstream deep learning framework (e.g., PyTorch, JAX) • Expertise in (atomistic) thermodynamic, kinetic simulations or computational chemistry • Ability to independently design and
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on developing AI-driven methods for catalyst and materials discovery, atomistic simulations, and data-driven understanding of complex energy systems. Key Responsibilities: Research Outputs: Expected to lead 1–2
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experience in atomistic simulations is preferred. • Development or working experience of generative models in scientific applications (e.g., diffusion/flow model) and working experience with agents
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