Can I read PhononBench: Benchmark for Crystal Stability on EtoBox?
PhononBench: Benchmark for Crystal Stability by athadu_366384719 is a document available to read on EtoBox.
What is PhononBench: Benchmark for Crystal Stability about?
PhononBench is introduced as the first large-scale benchmark for assessing the dynamical stability of AI-generated crystal structures, revealing that only 25.83% of generated crystals are dynamically stable. The study highlights the limitations of current generative models, with the best-performing model achieving a stability rate of just 41.0%. Additionally, 28,119 phonon-stable crystal structures are identified, providing a valuable resource for future materials exploration.
- Author
- athadu_366384719
- Language
- EN