982 citations · 1.9k across the 22 of their papers we have counts for
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Multi-Task Fine-Tuning Enables Robust Out-of-Distribution Generalization in Atomistic Models
Chengqian Zhang, Duo Zhang, Anyang Peng +7
Accurate de novo molecular and materials design requires structure-property models that generalize beyond known regimes. Although pretrained atomistic models achieve strong in-dist…
DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models
Yuzhi Zhang, Haidi Wang, Weijie Chen +4
In recent years, promising deep learning based interatomic potential energy surface (PES) models have been proposed that can potentially allow us to perform molecular dynamics simu…
Warm dense matter simulation via electron temperature dependent deep potential molecular dynamics
Yuzhi Zhang, Chang Gao, Linfeng Zhang +2
Simulating warm dense matter that undergoes a wide range of temperatures and densities is challenging. Predictive theoretical models, such as quantum-mechanics-based first-principl…