High-throughput ab initio computations for accelerated new materials discovery, Electronicstructure challenges in materials modeling for energy applications

Hautier, G., Jain, A., Moore, C., Fischer, C., Mueller, T., Chen, H., Doe, R., & Ceder, G. (2010). High-throughput ab initio computations for accelerated new materials discovery, Electronicstructure challenges in materials modeling for energy applications. CECAM workshop on electronic structure challenges in materials modeling for energy applications, Lausanne, Switzerland. https://hdl.handle.net/2078.5/84408