Fig. 1: The comparison of predicted energy and force.
From: Accurate and efficient molecular dynamics based on machine learning and non von Neumann architecture
The test systems are GeTe (a, b) and Li10GePS12 (c, d). EAIMD and FAIMD denote the energy and atomic forces of the AIMD samples. ENVNMD and FNVNMD denote the energy and atomic forces evaluated by NVNMD model.
