A team of researchers from TU Dortmund University, the University of Paderborn, and the University of Nottingham has ...

Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving ...

Abstract: This article proposes a machine-learning (ML) method to accelerate atomic-level device simulation. The main idea is to utilize graph convolutional network (GCN) to predict the potential ...