MoS-2

The 'MoS-2' dataset/benchmark is used to evaluate the performance of the density-derived atomic point (DDAP) charge method in accurately predicting long-range electrostatics in materials.

Papers using MoS-2 (5)

Zero-shot Autonomous Microscopy for Scalable and Intelligent Characterization of 2D Materials2025 · 4 citesopt-DDAP: Optimisable density-derived atomic point charges via automatic differentiation2026Machine Learning Interatomic Potentials Enable Molecular Dynamics Simulations of Doped MoS22025Polarizability Models for Simulations of Finite Temperature Raman Spectra from Machine Learning Molecular Dynamics2023 · 2 citesAnnealing for prediction of grand canonical crystal structures: Efficient implementation of n-body atomic interactions2023