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computational simulations in the area of density functional theory (DFT). The role will focus on understanding and predicting the properties of novel functional materials, including surfaces and interfaces
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density functional theory (DFT) methods integrated with data-driven artificial intelligence techniques. Research may encompass the development and application of machine learning force fields, high
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Computational Chemistry, Catalysis, Energy Chemistry, or a related field. Extensive expertise in Density Functional Theory (DFT) for material design and optimization. Proficiency in computational tools and
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