Scalable GW software for quasiparticle properties using OpenAtomMinjung KimSubhasish Mandalet al.2019Computer Physics Communications
Fine-grained parallelization of the Car-Parrinello ab initio molecular dynamics method on the IBM Blue Gene/L supercomputerEric BohmAbhinav Bhateleet al.2008IBM J. Res. Dev
Scalable molecular dynamics with NAMD on the IBM Blue Gene/L systemSameer KumarChao Huanget al.2008IBM J. Res. Dev