Journal Article 4 high-throughput calculations 2 DFT calculations 1 SCDFT 1 birefringence 1 condensed matter physics 1 crystal structure prediction 1 mehr ... deep-UV nonlinear optical materials 1 density functional theory 1 electrolyte 1 electron-phonon calculations 1 high‐throughput calculation 1 high‐throughput calculations 1 machine learning 1 proton conductor 1 protonic ceramic electrochemical cells 1 superconductivity 1 tight‐binding model 1 topological semimetal 1 water electrolysis 1 weniger ...