AIMD

The 'AIMD' dataset contains initial ab initio molecular dynamics data used to develop machine-learning interatomic potentials for evaluating gas-surface scattering dynamics.

Papers using AIMD (2)

Data-driven construction of machine-learning-based interatomic potentials for gas-surface scattering dynamics: the case of NO on graphite2026Generative Quasi-Continuum Modeling of Confined Fluids at the Nanoscale2025