596 citations · 1.3k across the 9 of their papers we have counts for
4 papers · 1 filter
Pushing the Pareto front of band gap and permittivity: ML-guided search for dielectric materials
Janosh Riebesell, T. Wesley Surta, Rhys Goodall +2
Materials with high-dielectric constant easily polarize under external electric fields, allowing them to perform essential functions in many modern electronic devices. Their practi…
Identifying Crystal Structures Beyond Known Prototypes from X-ray Powder Diffraction Spectra
Abhijith S. Parackal, Rhys E. A. Goodall, Felix A. Faber +1
The large amount of powder diffraction data for which the corresponding crystal structures have not yet been identified suggests the existence of numerous undiscovered, physically…
Matbench Discovery -- A framework to evaluate machine learning crystal stability predictions
Janosh Riebesell, Rhys E. A. Goodall, Philipp Benner +7
The rapid adoption of machine learning (ML) in domain sciences necessitates best practices and standardized benchmarking for performance evaluation. We present Matbench Discovery,…
Rapid Discovery of Stable Materials by Coordinate-free Coarse Graining
Rhys E. A. Goodall, Abhijith S. Parackal, Felix A. Faber +2
A fundamental challenge in materials science pertains to elucidating the relationship between stoichiometry, stability, structure, and property. Recent advances have shown that mac…