30 citations · 45 across the 4 of their papers we have counts for
3 papers · 1 filter
PXtal: Learning to Align Powder X-Ray Diffraction and Crystal Structures under Information Asymmetry across Modalities
Zhuoran Yang, Christopher M. Collins, Bei Peng +3
Scientific multimodal learning commonly assumes that paired views are comparably informative. Powder X-ray diffraction (PXRD) makes this mismatch explicit: compressing a three-dime…
Robust blind unmixing: A geometric approach to overcoming basis variation
Dumitru Mirauta, Vladimir V. Gusev, Michael W. Gaultois +2
Signal separation problems are common in science. A prominent example of this occurs during the use of diffraction or spectroscopy to identify the individual components of a mixtur…
Scientific applications of quantum computing: challenges and opportunities
Bruno Camino, C. Richard A. Catlow, John Buckeridge +13
The predictive simulation of molecules and materials has had a broad and significant impact. It nevertheless remains constrained by the cost of accurately treating electronic corre…