Software

  • OML — {O}ribital {M}inimization with {L}ocalization for linear scaling electronic structure calculations
  • Joint with W. E, C. J. Garcia-Cervera, L. Lin and J. Lu, parallel implementation in progress

  • FEMKS — {F}inite {E}lement {M}ethod for solving {K}ohn-{S}ham equation
  • Joint with X. Gong and D. Zhang (A. Zhou’s group in CAS developed a similar code in parallel)

  • ASEIG — {A}lgebraic {S}ub-struturing {EIG}ensolver
  • Joint with Z. Bai, X. Li and C. Yang

  • PPBE — {P}arallel {P}oisson-{B}oltzmann {E}quation Solver
  • Joint with Z. Liu and L. Liu