165 citations · 350 across the 12 of their papers we have counts for
17 papers · 1 filter
Proton distribution visualization in perovskite nickelate devices utilizing nanofocused X-rays
Ivan A. Zaluzhnyy, Peter O. Sprau, Richard Tran +17
We use a 30-nm x-ray beam to study the spatially resolved properties of a SmNiO-based nanodevice that is doped with protons. The x-ray absorption spectra supported by density-f…
Emergence of near-boundary segregation zones in face-centered cubic multi-principal element alloys
Megan J. McCarthy, Hui Zheng, Diran Apelian +6
Grain boundaries have been shown to dramatically influence the behavior of relatively simple materials such as monatomic metals and binary alloys. The increased chemical complexity…
Accelerating Materials Discovery with Bayesian Optimization and Graph Deep Learning
Yunxing Zuo, Mingde Qin, Chi Chen +4
Machine learning (ML) models utilizing structure-based features provide an efficient means for accurate property predictions across diverse chemical spaces. However, obtaining equi…
AtomSets -- A Hierarchical Transfer Learning Framework for Small and Large Materials Datasets
Chi Chen, Shyue Ping Ong
Predicting materials properties from composition or structure is of great interest to the materials science community. Deep learning has recently garnered considerable interest in…
Bridging the Gap Between Simulated and Experimental Ionic Conductivities in Lithium Superionic Conductors
Ji Qi, Swastika Banerjee, Yunxing Zuo +5
Lithium superionic conductors (LSCs) are of major importance as solid electrolytes for next-generation all-solid-state lithium-ion batteries. While molecular dynamics…
Learning Properties of Ordered and Disordered Materials from Multi-fidelity Data
Chi Chen, Yunxing Zuo, Weike Ye +2
Predicting the properties of a material from the arrangement of its atoms is a fundamental goal in materials science. While machine learning has emerged in recent years as a new pa…