Kohn− Sham Density Functional Theory Electronic Structure Calculations with Linearly Scaling Computational Time and Memory Usage E Rudberg, EH Rubensson, P Sałek Journal of chemical theory and computation 7 (2), 340-350, 2011 | 78 | 2011 |

Density matrix purification with rigorous error control EH Rubensson, E Rudberg, P Sałek The Journal of chemical physics 128 (7), 074106, 2008 | 48 | 2008 |

Hartree–Fock calculations with linearly scaling memory usage E Rudberg, EH Rubensson, P Sałek The Journal of chemical physics 128 (18), 184106, 2008 | 38 | 2008 |

Systematic sparse matrix error control for linear scaling electronic structure calculations EH Rubensson, P Sałek Journal of computational chemistry 26 (15), 1628-1637, 2005 | 37 | 2005 |

A hierarchic sparse matrix data structure for large‐scale Hartree‐Fock/Kohn‐Sham calculations EH Rubensson, E Rudberg, P Sałek Journal of computational chemistry 28 (16), 2531-2537, 2007 | 34 | 2007 |

Bringing about matrix sparsity in linear‐scaling electronic structure calculations EH Rubensson, E Rudberg Journal of computational chemistry 32 (7), 1411-1423, 2011 | 33 | 2011 |

Assessment of density matrix methods for linear scaling electronic structure calculations E Rudberg, EH Rubensson Journal of Physics: Condensed Matter 23 (7), 075502, 2011 | 33 | 2011 |

Chunks and Tasks: A programming model for parallelization of dynamic algorithms EH Rubensson, E Rudberg Parallel Computing 40 (7), 328-343, 2014 | 28 | 2014 |

Nonmonotonic recursive polynomial expansions for linear scaling calculation of the density matrix EH Rubensson Journal of chemical theory and computation 7 (5), 1233-1236, 2011 | 26 | 2011 |

Recursive inverse factorization EH Rubensson, N Bock, E Holmström, AMN Niklasson The Journal of chemical physics 128 (10), 104105, 2008 | 23 | 2008 |

Locality-aware parallel block-sparse matrix-matrix multiplication using the Chunks and Tasks programming model EH Rubensson, E Rudberg Parallel Computing 57, 87-106, 2016 | 20 | 2016 |

Graph-based linear scaling electronic structure theory AMN Niklasson, SM Mniszewski, CFA Negre, MJ Cawkwell, PJ Swart, ... The Journal of chemical physics 144 (23), 234101, 2016 | 20 | 2016 |

Computation of interior eigenvalues in electronic structure calculations facilitated by density matrix purification EH Rubensson, S Zahedi The Journal of chemical physics 128 (17), 176101, 2008 | 18 | 2008 |

Rotations of occupied invariant subspaces in self-consistent field calculations EH Rubensson, E Rudberg, P Sałek Journal of mathematical physics 49 (3), 032103, 2008 | 16 | 2008 |

Interior eigenvalues from density matrix expansions in quantum mechanical molecular dynamics EH Rubensson, AMN Niklasson SIAM Journal on Scientific Computing 36 (2), B147-B170, 2014 | 15 | 2014 |

Controlling errors in recursive Fermi–Dirac operator expansions with applications in electronic structure theory EH Rubensson SIAM Journal on Scientific Computing 34 (1), B1-B23, 2012 | 15 | 2012 |

Truncation of small matrix elements based on the Euclidean norm for blocked data structures EH Rubensson, E Rudberg, P Sałek Journal of computational chemistry 30 (6), 974-977, 2009 | 13 | 2009 |

Sparse matrix algebra for quantum modeling of large systems EH Rubensson, E Rudberg, P Sałek International Workshop on Applied Parallel Computing, 90-99, 2006 | 13 | 2006 |

Parameterless stopping criteria for recursive density matrix expansions A Kruchinina, E Rudberg, EH Rubensson Journal of chemical theory and computation 12 (12), 5788-5802, 2016 | 11 | 2016 |

Determination of the chemical potential and HOMO/LUMO orbitals in density purification methods EH Rubensson, HJA Jensen Chemical physics letters 432 (4-6), 591-594, 2006 | 10 | 2006 |