
EigenKernel
 Referenced in 3 articles
[sw29866]
 parallel generalized eigenvalue solvers or largescale 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 bandstructure, 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 largescale systems, in linearscaling quantum Monte Carlo calculations...

PyBEST
 Referenced in 1 article
[sw35712]
 models for ground and excitedstates 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 largescale 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 highlevel 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 threadsafe, 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 largescale constrained...

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