Computational Science | Materials Science Crystal Structure Assignment for Unknown Compounds from X-ray Diffraction Patterns with Deep Learning. March 13, 2024
Chemistry | Computer Science | Materials Science Deep Learning Enables Rapid Identification of a New Quasicrystal from Multiphase Powder Diffraction Patterns. November 15, 2023
Geophysics | Materials Science | Mineralogy Silica-water superstructure and one-dimensional superionic conduit in Earth’s mantle. September 1, 2023
Chemistry | Materials Science | Physics Correcting systematic errors in diffraction data with modern scaling algorithms. August 16, 2023
RNA nanotechnology | Structural Biology Assessment of three-dimensional RNA structure prediction in CASP15. May 10, 2023
Crystallography | Materials Science Reconstruction of incomplete X-ray diffraction pole figures of oligocrystalline materials using deep learning. April 3, 2023
Biochemistry | Biophysics A unifying Bayesian framework for merging X-ray diffraction data. December 15, 2022
Chemistry | Pharmaceutical Sciences Cocrystal Prediction of Bexarotene by Graph Convolution Network and Bioavailability Improvement. October 30, 2022
Crystallography | Materials Science Perovskite or Not Perovskite? A Deep Learning Approach to Automatically Identify New Hybrid Perovskites from X-ray Diffraction Patterns. August 13, 2022
Materials Science | Physics Hybrid Deep Learning Crystallographic Mapping of Polymorphic Phases in Polycrystalline Hf Zr O Thin Films. April 4, 2022
Artificial Intelligence | Chemistry | Materials Science Toward autonomous design and synthesis of novel inorganic materials. November 30, 2021
Chemistry | Materials Science Locating Hydrides in Ligand-Protected Copper Nanoclusters by Deep Learning. September 30, 2021