This dataset contains featurized data of 25212 entries based on entries in the Materials Project (MP) that has a structure deemed similar to an ICSD-entry and has a bandgap higher than 0.1eV calculate
This is downloaded from the Materials Project database. This is publicly available data and does not belong to me. Just uploading here for doi generation for the Pupose of a finals project (ML4MS-S202
The fundamental band gaps of liquid water and hexagonal ice are calculated through advanced electronic-structure methods. We compare specifically the performance of...
We describe a nonempirical procedure for achieving accurate band gaps of extended systems through the insertion of suitably defined potential probes. By enforcing Koopmans' condition on the resulting
