GeNOME

The GeNOME dataset contains Hamiltonian matrices obtained from first-principles DFT calculations of nearly all crystal structures on the Materials Project and is used to evaluate the performance of a universal electronic Hamiltonian model in predicting electronic structures across various materials.

Papers using GeNOME (4)

At-Scale Data-Driven Exploration of High-Voltage Cathode-Active Materials for Sodium Batteries2026Boosting t-SNE Efficiency for Sequencing Data: Insights from Kernel Selection2025A Universal Spin-Orbit-Coupled Hamiltonian Model for Accelerated Quantum Material Discovery2025Universal Machine Learning Kohn-Sham Hamiltonian for Materials2024 · 36 cites