4 papers
OASIS: A Deep Learning Framework for Universal Spectroscopic Analysis Driven by Novel Loss Functions
Chris Young, Juejing Liu, Marie L. Mortensen +6
The proliferation of spectroscopic data across various scientific and engineering fields necessitates automated processing. We introduce OASIS (Omni-purpose Analysis of Spectra via…
Data-Driven Insights into Rare Earth Mineralization: Machine Learning Applications Using Functional Material Synthesis Data
Juejing Liu, Xiaoxu Li, Yifu Feng +4
Quantitative understanding of rare earth element (REE) mineralization mechanisms, crucial for improving industrial separation, remains limited. This study leverages 1239 hydrotherm…
Molecular Insights into Yb(III) Speciation in Sulfate-Bearing Hydrothermal Fluids from X-ray Absorption Spectra Informed by ab initio Molecular Dynamics
Xiaodong Zhao, Duo Song, Sebastian Mergelsberg +9
Rare earth elements (REEs) are critical for advanced technologies, yet in hydrothermal aqueous solutions the molecular level details of their interaction with ligands that control…
Determining the Dielectric Constant of Solid/Liquid Interfaces
Somaiyeh Dadashi, Narendra M. Adhikari, Hao Li +4
The dielectric constant () of interfacial water is an important parameter, but its measurement has posed challenges, and no consensus has been reached on a ge…