Research

Here are the directions to
Yonsei University.

Computation, Theory & AI
This field focuses on the design and discovery of novel advanced materials through high-performance computing, cutting-edge AI methodologies, and first-principles simulations. By integrating AI-driven models with traditional computational approaches, researchers accelerate material innovation, uncover complex structure-property relationships, and enable autonomous materials discovery. Key research areas include: AI-augmented digital materials science, ab initio characterization of surfaces and interfaces in complex materials, computational design of advanced materials from first principles, and deep learning frameworks for predicting and optimising material properties. AI is also leveraged for generative design, high-throughput screening, and automation in materials research, driving a paradigm shift in computational materials science.