Curtarolo, Stefano Materials Science, Electrical Engineering, Physics and Chemistry, Duke University; Center for Materials Genomics, Duke University; Theory, Fritz Haber Institute, Max Planck Society;
Nardelli, M. B., Cerasoli, F. T., Costa, M., Curtarolo, S., De Gennaro, R., Fornari, M., et al. (2018). PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of topological materials. Computational Materials Science, 143, 462-472. doi:10.1016/j.commatsci.2017.11.034.