In a study published in PNAS, a research team developed a new reinforcement learning-based enhanced sampling method called Adaptive Collective Variables Generator (Adaptive CVgen), which has been ...

In a study published in PNAS, a research team led by SHI Xinghua from the National Center for Nanoscience and Technology (NCNST) of the Chinese Academy of Sciences, in collaboration with GAO Huajian's ...

The functionality of many materials is critically dependent on the integration of dissimilar components and on the interfaces that arise between them. The description of such heterogeneous components ...

Machine learning interatomic potentials (MLIPs) have become an essential tool to enable long-time scale simulations of materials and molecules at unprecedented accuracies. The aim of this collection ...

Depiction of the two degrees-of-freedom experimental protocols. (A) Human operator in the loop; (B) gravity-based test. In a breakthrough that propels haptic technology into new realms, a dual-rate ...