CEST - Research overview
CEST's research topics can be classified into three interacting branches: theory and method development, materials modeling, and machine learning materials science.
Theory and method development
Development of high-accuracy quantum-mechanical first-principles methods that can facilitates a better description of matter and unlocks new applications.
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Electronic materials modeling
Computational modeling of novel electronic materials using density-functional-theory (DFT) and DFT-based multiscale methods
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Hybrid interfaces
Exploration of hybrid (organic-inorganic) interfaces in functional materials using DFT and DFT-based machine learning methods
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Machine learning materials science
Development of cutting-edge machine learning methods and application in modern materials science
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Database-driven materials science
Materials science research taking advantage of big data
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