6 papers
Benchmark of First-Principles Titanium K-Edge X-Ray Absorption Spectral Simulations on Titanium-containing Oxides
Chuntian Cao, Joshua J. Kas, Karol Dyro +3
X-ray absorption spectroscopy (XAS) is a powerful, element-specific probe for investigating the local structural and electronic properties of materials. However, quantitative analy…
Inverse mask design for interference lithography using automatic differentiable wave propagation
Chuntian Cao, Jangwoon Sung, Jack Griffiths +9
Interference lithography (IL) is powerful for fabricating high-resolution periodic nanostructures, but designing masks to produce non-periodic patterns remains challenging. We intr…
A Mixture of Experts Foundation Model for Scanning Electron Microscopy Image Analysis
Sk Miraj Ahmed, Yuewei Lin, Chuntian Cao +9
Scanning Electron Microscopy (SEM) is indispensable in modern materials science, enabling high-resolution imaging across a wide range of structural, chemical, and functional invest…
Dehydration-Driven Ion Aggregation and the Onset of Gelation in ZnCl Solution
Alexei V. Tkachenko, Chuntian Cao, Amy C. Marschilok +1
A minimal model of ionic aggregation in concentrated ZnCl is developed, guided by molecular dynamics simulations with a machine-learned potential. It explicitly incorporates so…
Advancing AI-Driven Analysis in X-ray Absorption Spectroscopy: Spectral Domain Mapping and Universal Models
Nina Cao, Pavan Ravindra, Shubha R. Kharel +6
In recent years, rapid progress has been made in developing artificial intelligence (AI) and machine learning (ML) methods for x-ray absorption spectroscopy (XAS) analysis. Compare…
Atomic Insights into the Oxidative Degradation Mechanisms of Sulfide Solid Electrolytes
Chuntian Cao, Matthew R. Carbone, Cem Komurcuoglu +15
Electrochemical degradation of solid electrolytes is a major roadblock in the development of solid-state batteries, and the formed solid-solid interphase (SSI) plays a key role in…