3 papers
cond-mat.mtrl-sci2026
SLayerGen: a Crystal Generative Model for all Space and Layer Groups
Rees Chang, Andrew Novick, Ryan P Adams +1
Crystal generative models have shown rapid progress for accelerating the discovery of bulk, periodic materials. However, many material systems such as 2D superconductors, thin film…
cs.LG2025
Building Machine Learning Challenges for Anomaly Detection in Science
Elizabeth G. Campolongo, Yuan-Tang Chou, Ekaterina Govorkova +148
Scientific discoveries are often made by finding a pattern or object that was not predicted by the known rules of science. Oftentimes, these anomalous events or objects that do not…
cond-mat.mtrl-sci2025
Modeling glasses from first-principles using random structure sampling
Laszlo Wolf, Andrew Novick, Vladan StevanoviÄ
We present an approach to approximating static properties of glasses without experimental inputs rooted in the first-principles random structure sampling. In our approach, the glas…