2 papers
cond-mat.mtrl-sci2025
Graph Transformer Networks for Accurate Band Structure Prediction: An End-to-End Approach
Weiyi Gong, Tao Sun, Hexin Bai +3
Predicting electronic band structures from crystal structures is crucial for understanding structure-property correlations in materials science. First-principles approaches are acc…
cs.DC2025
Introducing JIRIAF: A Virtual Kubelet Integration for Optimizing HPC Resource Provisioning
Vardan Gyurjyan, Graham Heyes, Christopher Larrieu +2
The JIRIAF (JLab Integrated Research Infrastructure Across Facilities) framework is designed to streamline resource management and optimize high-performance computing (HPC) workloa…