3 papers
cond-mat.mtrl-sci2022
Benchmarking Active Learning Strategies for Materials Optimization and Discovery
Alex Wang, Haotong Liang, Austin McDannald +2
Autonomous physical science is revolutionizing materials science. In these systems, machine learning controls experiment design, execution, and analysis in a closed loop. Active le…
cond-mat.mtrl-sci2021
A Semi-Supervised Approach for Automatic Crystal Structure Classification
Satvik Lolla, Haotong Liang, A. Gilad Kusne +2
The structural solution problem can be a daunting and time consuming task. Especially in the presence of impurity phases, current methods such as indexing become more unstable. In…
cond-mat.mtrl-sci2020
CRYSPNet: Crystal Structure Predictions via Neural Network
Haotong Liang, Valentin Stanev, A. Gilad Kusne +1
Structure is the most basic and important property of crystalline solids; it determines directly or indirectly most materials characteristics. However, predicting crystal structure…