2 papers
cond-mat.mtrl-sci2026
Melt-Quench Failures and Practical Solutions for Universal Machine-Learning Interatomic Potentials in Amorphous Structure Generation
Shuwei Li, Yuqi An, Xingyu Guo +2
Generating experimentally relevant amorphous structures via melt-quench molecular dynamics is prohibitively expensive at the first-principles level. Universal machine-learning inte…
cond-mat.mtrl-sci2026
Predicting Novel Stable Materials for Experimental Synthesis
Yuqi An, Sihong Zhu, Joseph Montoya +2
Machine-learning-accelerated materials discovery has yielded large numbers of computationally stable compounds, yet many remain experimentally unrealized, underscoring a persistent…