LG AI Research was established in December 2020 aimed to harness the power of AI for the improvement of human life. From basic research based on the latest AI technologies to applied research in collaboration with our various affiliates, we conduct research over a wide range of scientific areas. Among them, the Materials Intelligence Lab uses AI technology to address the materials' development needs of our many LG affiliates, including battery materials, organic electronic materials, and bio/drug discovery. We use AI (1) to extract data from literature such as papers/patents to build materials' databases, (2) to develop models that learn patterns between a certain material structure and physical properties to design optimized chemical compounds, and (3) to propose synthetic paths to accelerate material discovery. I would like to present you the AI-based materials discovery research done at LG AI Research over the past three years and introduce "Expert AI for Science", which portrays the direction LG AI Research aims for in the future at the intersection of AI and Science.