108 citations · 108 across the 5 of their papers we have counts for
4 papers · 1 filter
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…
MatterSim-MT: A multi-task foundation model for in silico materials characterization
Han Yang, Xixian Liu, Chenxi Hu +25
Accurate property characterization is a major bottleneck in materials design. While first-principles methods and task-specific machine-learning models have driven important progres…
Probing the Limit of Heat Transfer in Inorganic Crystals with Deep Learning
Jielan Li, Zekun Chen, Qian Wang +21
Heat transfer is a fundamental property of matter. Research spanning decades has attempted to discover materials with exceptional thermal conductivity, yet the upper limit remains…
MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures
Han Yang, Chenxi Hu, Yichi Zhou +19
Accurate and fast prediction of materials properties is central to the digital transformation of materials design. However, the vast design space and diverse operating conditions p…