MoS-2

The 'MoS2' dataset/benchmark contains data related to the electronic structure and properties of molybdenum disulfide (MoS2) and is used to evaluate the performance of methods for determining atom-centred charges from density functional theory calculations.

Papers using MoS-2 (3)

Zero-shot Autonomous Microscopy for Scalable and Intelligent Characterization of 2D Materials2025 · 1 citesopt-DDAP: Optimisable density-derived atomic point charges via automatic differentiation2026Machine Learning Interatomic Potentials Enable Molecular Dynamics Simulations of Doped MoS22025