Material - jspark85/share GitHub Wiki
General Information
STARCELL
High-throughput screening
- High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials
- High-throughput density-functional perturbation theory phonons for inorganic materials
- High-throughput ab-initio dilute solute diffusion database
- Charting the complete elastic properties of inorganic crystalline compounds
- Surface energies of elemental crystals
- A database to enable discovery and design of piezoelectric materials
- High-throughput DFT calculations of formation energy, stability and oxygen vacancy formation energy of ABO3 perovskites
- An ab initio electronic transport database for inorganic materials
- An open experimental database for exploring inorganic materials
- A hybrid organic-inorganic perovskite dataset
Presentations