48 citations · 87 across the 7 of their papers we have counts for
7 papers
MatPhaseBench: A Semantics-Guided Benchmark for Materials Phase Diagrams Understanding
Hanwen Wang, Sihan Liang, Zhiwei Liu +4
Materials phase diagrams are a core knowledge representation in materials science, encoding temperature,composition, phase stability, and phase transformation pathways, with their…
Lossless Compression: A New Benchmark for Time Series Model Evaluation
Meng Wan, Benxi Tian, Jue Wang +7
The evaluation of time series models has traditionally focused on four canonical tasks: forecasting, imputation, anomaly detection, and classification. While these tasks have drive…
Neutron particle transport 3D method of characteristic Multi GPU platform Parallel Computing
Faguo Zhou, Shunde Li, Rong Xue +9
Three-dimensional neutron transport calculations using the Method of Characteristics (MOC) are highly regarded for their exceptional computational efficiency, precision, and stabil…
Transformer-Enhanced Variational Autoencoder for Crystal Structure Prediction
Ziyi Chen, Yang Yuan, Siming Zheng +4
Crystal structure forms the foundation for understanding the physical and chemical properties of materials. Generative models have emerged as a new paradigm in crystal structure pr…
CrySPAI: A new Crystal Structure Prediction Software Based on Artificial Intelligence
Zongguo Wang, Ziyi Chen, Yang Yuan +1
Crystal structure predictions based on the combination of first-principles calculations and machine learning have achieved significant success in materials science. However, most o…
MatChat: A Large Language Model and Application Service Platform for Materials Science
Ziyi Chen, Fankai Xie, Meng Wan +5
The prediction of chemical synthesis pathways plays a pivotal role in materials science research. Challenges, such as the complexity of synthesis pathways and the lack of comprehen…
Lu-H-N phase diagram from first-principles calculations
Fankai Xie, Tenglong Lu, Ze Yu +4
Using a comprehensive structure search and high-throughput first-principles calculations of 1483 compounds, this study presents the phase diagram of Lu-H-N. The formation energy la…