marcel.science / gknet
Green-Kubo Thermal Conductivities with Message-Passing Neural Networks

Hello! 🖖 This is the website for an ongoing project to compute thermal conductivities with the Green-Kubo method and message-passing neural networks. There is no paper yet, but feel free to have a look at the APS talk linked below, and keep an eye on twitter.

APS Talk

Talk V20.00002