R.A. Hansel

1. Automated generation of highly accurate, efficient and transferable pseudopotentials
   2015/06/27 by R.A. Hansel, Rachael Hansel, C.N. Brock +7 · 2 citations
   Chemistry · Engineering · Materials Science · Mathematics · #Ab initio #Algorithm #Atomic orbital #Atomic physics #Chemistry #Computational chemistry #Computational physics #Computer science #Density functional theory #Electron #Machine Learning in Materials Science #Mathematics #Physics #Pseudopotential #Quantum mechanics #Thermal Expansion and Ionic Conductivity #Thermodynamic and Structural Properties of Metals and Alloys