Exploring the Nitride Perovskites Composition Space with Chemical Heuristics and First-Principles Calculations

Virtual high-throughput screening of photoactive quaternary oxides

Computational search of anion redox Li-ion battery composition space

Low cost descriptors for surrogate modelling of energy generation and storage

An introduction to data-driven materials discovery

Descriptors for the nature of electron and hole charge carriers from first-principles calculations data

Navigating the combinatorial materials space

DWD_iPolymorphs_June_16_v2_shortpreamble.pdf

Low-cost High-throughput Screening of All Inorganic Materials

Exploring the Materials Hyperspace