Скачать или смотреть Materials Project Seminars – Taylor Sparks, "Materials informatics: Moving beyond screening [...]"

Title: "Materials informatics: Moving beyond screening via generative machine learning models"

Presented as a Materials Project Seminar on March 25th 2022.

More information on the Materials Project Seminar Series at https://materialsproject.org/seminars including free registration links for future events and to ask questions about this talk.

Speaker: Taylor D. Sparks, Associate Professor of Materials Science & Engineering, University of Utah

Abstract: Technology progresses only as fast as the development of new, advanced materials. Materials discovery has never been more important, but it is far too slow and expensive. Materials informatics has accelerated materials development, but primarily allows us to screen known materials as opposed to truly discover new materials. Here, I will describe our efforts to generate new periodic crystalline materials by predicting crystallographic information file data using generative adversarial networks in conjunction with the newly published DiSCoVeR algorithm that combines a chemical distance metric, density-aware dimensionality reduction, clustering, and a regression model.