Purpose: Is used to train the machine learning model. Function: Think of it as the study material for the model. It provides examples and patterns for the model to learn from and build its internal ...

Machine learning interatomic potentials (MLIPs) enable more efficient molecular dynamics (MD) simulations with ab initio accuracy, which have been used in various domains of physical science. However, ...

Artificial intelligence (AI) models—specifically, generative AI (GenAI) models—are becoming increasingly relevant for today’s businesses, yet many questions remain about how such models work and how ...