• EigenKernel

  • Referenced in 3 articles [sw29866]
  • parallel generalized eigenvalue solvers or large-scale electronic state calculation to attain high scalability...
  • Wannier90

  • Referenced in 13 articles [sw01010]
  • interfaced straightforwardly to any electronic structure code. The locality of MLWF can be exploited ... compute band-structure, density of states and Fermi surfaces at modest computational cost. Furthermore, wannier90 ... analysis of chemical bonding in real space; calculation of dielectric properties via the modern theory ... construction of model Hamiltonians for large-scale systems, in linear-scaling quantum Monte Carlo calculations...
  • PyBEST

  • Referenced in 1 article [sw35712]
  • models for ground- and excited-states electronic structure calculations as well as the quantum entanglement ... future releases to enhance its performance. The electronic structure methods available in PyBEST are tested ... capability of PyBEST to perform large-scale electronic structure calculations is demonstrated for the model...
  • ANSYS

  • Referenced in 704 articles [sw00044]
  • ANSYS offers a comprehensive software suite that spans...
  • Coq

  • Referenced in 1888 articles [sw00161]
  • Coq is a formal proof management system. It...
  • LAPACK

  • Referenced in 1701 articles [sw00503]
  • LAPACK is written in Fortran 90 and provides...
  • Mathematica

  • Referenced in 6343 articles [sw00554]
  • Almost any workflow involves computing results, and that...
  • Matlab

  • Referenced in 13488 articles [sw00558]
  • MATLAB® is a high-level language and interactive...
  • NAG

  • Referenced in 423 articles [sw00610]
  • Produced by experts for use in a variety...
  • PARDISO

  • Referenced in 286 articles [sw00679]
  • The package PARDISO is a thread-safe, high...
  • R

  • Referenced in 9832 articles [sw00771]
  • R is a language and environment for statistical...
  • rbMIT

  • Referenced in 146 articles [sw00784]
  • The rbMIT © MIT Software package implements in Matlab...
  • ScaLAPACK

  • Referenced in 417 articles [sw00830]
  • ScaLAPACK is an acronym for scalable linear algebra...
  • SLEPc

  • Referenced in 196 articles [sw00875]
  • SLEPc the Scalable Library for Eigenvalue Problem Computations...
  • UMFPACK

  • Referenced in 415 articles [sw00989]
  • An ANSI C code for sparse LU factorization...
  • JADAMILU

  • Referenced in 18 articles [sw01424]
  • JADAMILU: a software code for computing selected eigenvalues...
  • SNOPT

  • Referenced in 551 articles [sw02300]
  • SNOPT: An SQP algorithm for large-scale constrained...
  • GAMESS

  • Referenced in 40 articles [sw03002]
  • GAMESS is a program for ab initio molecular...