no code implementations • 9 Aug 2023 • Alexander New, Michael Pekala, Elizabeth A. Pogue, Nam Q. Le, Janna Domenico, Christine D. Piatko, Christopher D. Stiles
Generative machine learning models can use data generated by scientific modeling to create large quantities of novel material structures.
no code implementations • 2 Aug 2022 • Alexander New, Michael J. Pekala, Nam Q. Le, Janna Domenico, Christine D. Piatko, Christopher D. Stiles
Properties of interest for crystals and molecules, such as band gap, elasticity, and solubility, are generally related to each other: they are governed by the same underlying laws of physics.