Zun Wang

TL;DR: In this paper, the authors predict that van der Waals layered MnBi$_2$Te$_4$-family materials show two-dimensional (2D) ferromagnetism in the single layer and three-dimensional(3D) $A$-type antiferromagnetic topological insulator in the bulk.

TL;DR: In this article, the authors predict a series of van der Waals layered MnBi2Te4-related materials that show intralayer ferromagnetic and interlayer antiferromagnetic exchange interactions, including a topological axion state on the surface, a type II magnetic Weyl semimetal with one pair of Weyl points, as well as a collection of intrinsic axion insulators and quantum anomalous Hall (QAH) insulators in even and odd-layer films, respectively.

TL;DR: In this article, a symmetry-adapted graph neural network (MDGNN) was proposed to construct force fields automatically for molecular dynamics simulations for both molecules and crystals, which consistently preserves translation, rotation, and permutation invariance in the simulations.

TL;DR: In this article, the authors proposed the heterogeneous relational message passing network (HermNet), an end-to-end heterogeneous graph neural networks, to efficiently express multiple interactions in a single model with high accuracy.

TL;DR: In this paper, the phonon-limited valley polarization is shown to be around 70% at room temperature for state-of-the-art transition-metal dichalcogenides including MoSe, MoS, WS, WSe, and MoTe.