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  1. Modeling glasses from first principles using random structure sampling
  2. AlScO3 perovskite—An ∼8 eV bandgap oxide predicted to exhibit low small hole polaron ionization energies and p-type conductivity at elevated temperatures
  3. Metastable materials discovery in the age of large-scale computation
  4. Matching crystal structures atom-to-atom
  5. Effective n-type doping of Mg3Sb2 with group-3 elements
  6. Assessing capability of semiconductors to split water using ionization potentials and electron affinities only