AIMNet2: a neural network potential to meet your neutral, charged, organic, and elemental-organic needs

D Anstine, R Zubatyuk, O Isayev - 2024 - chemrxiv.org
Machine learned interatomic potentials (MLIPs) are reshaping computational chemistry
practices because of their ability to drastically exceed the accuracy-length/time scale …

Edge Polarization Topology Integrated with Sliding Ferroelectricity in Moiré System

N Zhong, W Fan, Z Guan, L Wei, H Xu, W Tong, M Tian… - 2024 - researchsquare.com
Van der Waals moiré heterostructure have been found to exhibits a robust interfacial
ferroelectricity down to atomic thickness, and discovering and understanding the complex …