3 papers
physics.comp-ph2026
AI-accelerated metallized -bonding screening for superconductor discovery
Zechen Tang, Wen-Han Dong, Baochun Wu +11
The computational discovery of phonon-mediated superconductors is hindered by the prohibitive cost of density functional perturbation theory (DFPT). Here, guided by the metallized…
physics.comp-ph2025
Picosecond-scale Heterogeneous Melting of Metals at Extreme Non-equilibrium States
Qiyu Zeng, Xiaoxiang Yu, Bo Chen +4
Extreme electron-ion non-equilibrium states, generated by ultrafast laser excitation, lead to melting processes that are fundamentally different from those under conventional therm…
physics.chem-ph2025
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials
Jinzhe Zeng, Duo Zhang, Anyang Peng +44
In recent years, machine learning potentials (MLPs) have become indispensable tools in physics, chemistry, and materials science, driving the development of software packages for m…