119 citations · 463 across the 22 of their papers we have counts for
22 papers
Two-dimensional helical superconductivity and gapless superconducting edge modes in the 1T-WS/2H-WS heterophase bilayer
Xuance Jiang, Jennifer Cano, Yuan Ping +2
We propose a material platform comprised of transition metal dichalcogenide (TMDC) heterostructures to realize the two-dimensional (2D) helical superconductivity with an intrinsic…
Transferable Graph Neural Fingerprint Models for Quick Response to Future Bio-Threats
Wei Chen, Yihui Ren, Ai Kagawa +9
Fast screening of drug molecules based on the ligand binding affinity is an important step in the drug discovery pipeline. Graph neural fingerprint is a promising method for develo…
Accurate, uncertainty-aware classification of molecular chemical motifs from multi-modal X-ray absorption spectroscopy
Matthew R. Carbone, Phillip M. Maffettone, Xiaohui Qu +2
Accurate classification of molecular chemical motifs from experimental measurement is an important problem in molecular physics, chemistry and biology. In this work, we present neu…
Multi-code Benchmark on Simulated Ti K-edge X-ray Absorption Spectra of Ti-O Compounds
Fanchen Meng, Benedikt Maurer, Fabian Peschel +7
X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulate…
Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thiophosphate solid electrolytes
Haoyue Guo, Matthew R. Carbone, Chuntian Cao +9
X-ray absorption spectroscopy (XAS) is a premier technique for materials characterization, providing key information about the local chemical environment of the absorber atom. In t…
Decoding Structure-Spectrum Relationships with Physically Organized Latent Spaces
Zhu Liang, Matthew R. Carbone, Wei Chen +5
A new semi-supervised machine learning method for the discovery of structure-spectrum relationships is developed and demonstrated using the specific example of interpreting X-ray a…