John Kitchin: Using Machine Learning to Improve Molecular Simulations
From Media Services on October 16th, 2017
Chemical Engineering Professor John Kitchin discussed his work modeling materials using molecular simulations based on quantum chemistry. He and his group are using machine learning methods that they can build from the quantum chemical simulations to run much faster calculations on bigger systems to model more complex materials for longer times. This would enable the design of better materials for engineering applications.