Message Passing Neural Networks for Atomistic Systems - Materials - IPAM at UCLA

Explore message passing neural networks for atomistic systems in materials science through this 25-minute conference talk. Delve into practical applications, thermal transport simulations, diffusion processes, and convergence tests. Gain insights from Marcel Langer of Technische Universität Berlin as he presents at IPAM's Multiscale Approaches in Quantum Mechanics Workshop. Discover the potential of this approach for materials research and learn about future directions in the field.

Introduction
In practice
Thermal transport simulations
Diffusion
Thermal transport
Example system
Convergence tests
Teaser slide
Conclusions
Next steps