1 code implementation • 15 Mar 2024 • Sarah I. Allec, Xiaonan Lu, Daniel R. Cassar, Xuan T. Nguyen, Vinay I. Hegde, Thiruvillamalai Mahadevan, Miroslava Peterson, Jincheng Du, Brian J. Riley, John D. Vienna, James E. Saal
Here, we explore the application of an open-source pre-trained NN model, GlassNet, that can predict the characteristic temperatures necessary to compute glass stability (GS) and assess the feasibility of using these physics-informed ML (PIML)-predicted GS parameters to estimate GFA.
1 code implementation • 20 Aug 2020 • Daniel R. Cassar, Gisele G. dos Santos, Edgar D. Zanotto
In this work, we developed a computer program that combines data-driven predictive models (in this case, neural networks) with a genetic algorithm to design glass compositions with desired combinations of properties.
Materials Science Soft Condensed Matter Computational Physics
1 code implementation • 7 Jul 2020 • Daniel R. Cassar
The final trained NN was tested with a test dataset of 85 liquids with different compositions than those used for training and validating the NN.
Computational Physics Disordered Systems and Neural Networks Soft Condensed Matter
1 code implementation • 4 Jan 2020 • Jeanini Jiusti, Daniel R. Cassar, Edgar D. Zanotto
Glass forming ability (GFA) is a property of utmost importance in glass science and technology.
Soft Condensed Matter
no code implementations • 15 Dec 2018 • Daniel R. Cassar
A common practice to obtain $\sigma$ is to assume a model for its temperature-dependence and perform a regression of the CNT equation against experimental nucleation data.
Soft Condensed Matter Chemical Physics Computational Physics