6 citations · 8 across the 6 of their papers we have counts for
6 papers
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…
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…
Modeling glasses from first-principles using random structure sampling
Laszlo Wolf, Andrew Novick, Vladan Stevanović
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…
Probabilistic Prediction of Material Stability: Integrating Convex Hulls into Active Learning
Andrew Novick, Diana Cai, Quan Nguyen +3
Active learning is a valuable tool for efficiently exploring complex spaces, finding a variety of uses in materials science. However, the determination of convex hulls for phase di…
All "roads" lead to rocksalt structure
Matthew Jankousky, Helen Chen, Andrew Novick +1
Rocksalt is the most common crystal structure among binary compounds. Moreover, no long-lived, metastable polymorphs are observed in compounds with the rocksalt ground state. We in…
Mechanistically-guided materials chemistry: synthesis of new ternary nitrides, CaZrN and CaHfN
Christopher L. Rom, Andrew Novick, Matthew J. McDermott +13
Recent computational studies have predicted many new ternary nitrides, revealing synthetic opportunities in this underexplored phase space. However, synthesizing new ternary nitrid…