6 citations · 6 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2026
Machine Learning Accelerated SSNEB for Efficient Minimum Energy Pathway Calculations
Yu Zhang, Guanzhi Li, Minkyung Han +4
Metastable states and their minimum energy pathways (MEPs) are central to understanding transformations and phase stability in complex materials, yet mapping transition pathways be…
cond-mat.mtrl-sci2023★ 6 cited
Self-Supervised Generative Models for Crystal Structures
Fangze Liu, Zhantao Chen, Tianyi Liu +4
Drawing inspiration from the achievements of natural language processing, we adopt self-supervised learning and utilize an equivariant graph neural network to develop a unified pla…