QH-9

The QH-9 dataset is a benchmark used to evaluate the performance of machine learning Hamiltonian models in predicting energies and forces directly from their outputs.

Papers using QH-9 (5)

High-order Equivariant Flow Matching for Density Functional Theory Hamiltonian Prediction2025 · 6 citesMachine Learning Hamiltonians are Accurate Energy-Force Predictors2026Efficient Prediction of SO(3)-Equivariant Hamiltonian Matrices via SO(2) Local Frames2025Efficient and Scalable Density Functional Theory Hamiltonian Prediction through Adaptive Sparsity2025QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules2023 · 3 cites