Designing and Simulating Materials with Machine Learning

Queen Elisabeth Room
14:45 - 15:00

Abstract

From the Iron Age to the Plasticine, we have categorized human development by the materials it uses. With the advances in modern AI, we might start to envision an age of "Materials-on-Demand". In this presentation I will explain the dawn of a new scientific paradigm and review some of its recent successes in computational chemistry and physics. I will end by painting a vision of how the tools of modern generative AI can accelerate the process of designing new materials, drugs and chemicals.