A machine learning approach could allow computers to determine the electronic structure of molecules without having to use the most resource-intensive equations of density functional theory, new ...

Machine learning methods, ... Machine learning predicts nanoparticles' structure and dynamics. ScienceDaily. Retrieved June 2, 2025 from www.sciencedaily.com / releases / 2020 / 06 / 200609104305.htm.

What is the actual structure of graphene oxide nanoflakes? This question is important for optimizing the properties of the carbon material in real-world applications, and researchers at CSIRO in ...