Linearly scaling 3D fragment method for large-scale electronic structure calculations. - Lin-Wang Wang; Byounghak Lee; Hongzhang Shan; Zhengji Zhao; Juan C. Meza; Erich Strohmaier; David H. Bailey (SC, 2008)

KSSOLV - a MATLAB toolbox for solving the Kohn-Sham equations. - Chao Yang 001; Juan C. Meza; Byounghak Lee; Lin-Wang Wang (ACM Trans. Math. Softw., 2009)