3 papers
cond-mat.mtrl-sci2026
Computed materials proposals depart from the structural memory of experimental discovery
Dan Nguyen, Karen Cao, Brian Chu +3
Generative AI and high-throughput DFT pipelines propose millions of inorganic crystal structures, but lack a calibrated reference frame against experimentally realized chemistry. H…
cond-mat.mtrl-sci2026
Accelerating Quantum Materials Characterization: Hybrid Active Learning for Autonomous Spin Wave Spectroscopy
William Ratcliff
Autonomous neutron spectroscopy must solve three distinct tasks: detection (where is the signal?), inference (which Hamiltonian governs it?), and refinement (what are the parameter…
cond-mat.mtrl-sci2026
Attention Is Not All You Need for Diffraction
Elizabeth J. Baggett, Edward G. Friedman, Abhishek Shetty +5
Determining crystal symmetry from powder X-ray diffraction is a central problem in materials characterization, yet multiple space groups can produce indistinguishable patterns, mak…