AI Forum 2023 | AI4Science: Accelerating Scientific Discovery with Artificial Intelligence

Artificial intelligence (AI) is an emerging technology in scientific research, potentially disrupting conventional research paradigms. Founded in 2022, Microsoft Research AI4Science focuses on the development of AI models to solve challenging scientific problems, with missions to accelerate breakthroughs in both fundamental and applied sciences, expanding the boundaries of our knowledge. We mainly work on subjects related to global pressing issues, such as public health and sustainability, corresponding to life sciences and materials sciences. I would like to take the opportunity to share recent progress in the development of AI technologies for research from microscopic molecular systems to macroscopic phenomena. Briefly, we have developed the following tools that will become available for researchers all over the world: (1) fast and accurate quantum chemistry simulation tools for molecular and materials calculations; (2) machine learning force field models to study materials dynamics and properties; (3) protein-drug complex structures and interaction predictions; (4) efficient dynamics simulations of biomolecules and generative AI models for protein functional states predictions; (5) protein optimization via large language models; and (6) macroscopic dynamics simulations for weather/climate modeling. We look forward to close collaborations with research communities globally.