March 2020
Physics Guided Neural Networks for the Design and Understanding of Materials
Tian Xie (MIT)
online
Abstract: Climate change demands faster material innovations in multiple domains to reduce the carbon emissions of various industrial processes, but it currently takes 10-20 years to develop a single material with conventional human-driven approaches due to the large amounts of trail and errors needed. Machine learning approaches enable the direct learning of structure-property relations of materials from data, which have the potential to accelerate the search of materials and understand new scientific knowledge. However, one central challenge in developing…
Find out more »April 2020
Uncovering atomistic mechanisms of crystallization using Machine Learning
Rodrigo Freitas (Stanford University)
online
Abstract: Solid-liquid interfaces have notoriously haphazard atomic environments. While essentially amorphous, the liquid has short-range order and heterogeneous dynamics. The crystal, albeit ordered, contains a plethora of defects ranging from adatoms to dislocation-created spiral steps. All these elements are of paramount importance in the crystal growth process, which makes the crystallization kinetics challenging to describe concisely in a single framework. In this seminar I will introduce a novel data-driven approach to systematically detect, encode, and classify all atomic-scale mechanisms…
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