268 citations · 362 across the 8 of their papers we have counts for
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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…
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…
Accelerating Complex Materials Discovery with Universal Machine-Learning Potential-Driven Structure Prediction
Yuqi An, Zhenbin Wang
Universal machine-learning interatomic potentials (uMLIPs) have become powerful tools for accelerating computational materials discovery by replacing expensive first-principles cal…
Are Universal Potentials Ready for Alkali-Ion Battery Kinetics?
Xingyu Guo, Cheng Gui, Zhenbin Wang
Accelerating alkali-ion battery discovery requires accurate modeling of atomic-scale kinetics, yet the reliability of universal machine learning interatomic potentials (uMLIPs) in…
Unified Theory of Thermal Quenching in Inorganic Phosphors
Mahdi Amachraa, Zhenbin Wang, Hanmei Tang +4
We unify two prevailing theories of thermal quenching (TQ) in rare-earth-activated inorganic phosphors - the cross-over and auto-ionization mechanisms - into a single predictive mo…
Deep Neural Networks for Accurate Predictions of Garnet Stability
Weike Ye, Chi Chen, Zhenbin Wang +2
Predicting the stability of crystals is one of the central problems in materials science. Today, density functional theory (DFT) calculations are the computational tool of choice t…
Electronic Structure Descriptor for Discovery of Narrow-Band Red-Emitting Phosphors
Zhenbin Wang, Iek-Heng Chu, Fei Zhou +1
Narrow-band red-emitting phosphors are a critical component in phosphor-converted light-emitting diodes for highly efficient illumination-grade lighting. In this work, we report th…