Showing 1–20 of 27 results
/ Date/ Name
Oct 21, 2022The Generalized Green's function Cluster Expansion: A Python package for simulating polaronsJan 11, 2023Decoding Structure-Spectrum Relationships with Physically Organized Latent SpacesJan 4, 2022Competition between Barrier- and Entropy-Driven Activation in GlassesDec 11, 2024Empirical Measurements of AI Training Power Demand on a GPU-Accelerated NodeMar 24, 2020Microscopic model of the doping dependence of line widths in monolayer transition metal dichalcogenidesJul 16, 2021Machine learning of Kondo physics using variational autoencoders and symbolic regressionJun 28, 2023Accurate, uncertainty-aware classification of molecular chemical motifs from multi-modal X-ray absorption spectroscopyJan 31, 2023Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thiophosphate solid electrolytesJan 19, 2023Machine-learning the spectral function of a hole in a quantum antiferromagnetOct 1, 2023Atomic Insights into the Oxidative Degradation Mechanisms of Sulfide Solid ElectrolytesJul 17, 2023Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-ThreatsSep 29, 2024OmniXAS: A Universal Deep-Learning Framework for Materials X-ray Absorption SpectraOct 16, 2025Advancing AI-Driven Analysis in X-ray Absorption Spectroscopy: Spectral Domain Mapping and Universal ModelsJan 3, 2019Classification of Local Chemical Environments from X-ray Absorption Spectra using Supervised Machine LearningDec 9, 2023Spectroscopy-Guided Discovery of Three-Dimensional Structures of Disordered Materials with Diffusion ModelsJun 19, 2023Physically interpretable approximations of many-body spectral functionsJan 8, 2020Effective Trap-like Activated Dynamics in a Continuous LandscapeNov 21, 2020Predicting impurity spectral functions using machine learningMar 2, 2021Numerically Exact Generalized Green's Function Cluster Expansions for Electron-Phonon ProblemsMay 26, 2021Bond-Peierls polaron: Moderate mass enhancement and current-carrying ground state