Nanowerk July 27, 2020
An international team of researchers (USA – Harvard University, China) introduces theoretical concepts and methods for the processing of materials information, and as a case study, apply them to investigate the electronic structure of multi-layer graphene-based assemblies in a high-throughput fashion. They provide a critical discussion of patterns and trends in tight binding band structures and identify specific layered assemblies using low-dispersion electronic bands as indicators of potentially interesting physics like strongly correlated behavior. A combination of data-driven models for visualization and prediction is used to intelligently explore the materials space. This work more generally aims to increase confidence in data-driven modeling for the development of novel quantum devices…read more. TECHNICAL ARTICLE 1 , 2
Abstract. Credit: J. Chem. Inf. Model. 2020, 60, 7, 3457–3462, June 23, 2020Â