
transiesta
 Referenced in 8 articles
[sw33754]
 gold wires, and finally iii large carbon nanotube systems with point defects...

MDBenchmarks
 Referenced in 3 articles
[sw32174]
 program are proposed for graphene and carbon nanotubes, that may serve to test any molecular...

CYLWAVE
 Referenced in 1 article
[sw10428]
 dynamics calculations using cylindrical polar coordinates: a nanotube application. A program that uses the time ... describing its angular momentum component along the nanotube axis and the excitation of the radial ... atom across a carbon nanotube...

RASPA
 Referenced in 2 articles
[sw27541]
 fluids, zeolites, aluminosilicates, metalorganic frameworks, carbon nanotubes and external fields...

MesoBioNano
 Referenced in 1 article
[sw18198]
 molecular systems, such as atomic clusters, fullerenes, nanotubes, polypeptides, proteins, DNA, composite systems, nanofractals...

abinitio
 Referenced in 1 article
[sw26558]
 these tools, we also explore decorated carbon nanotubes as potential realizations of Little’s model...

NanoCap
 Referenced in 0 articles
[sw20065]
 NanoCap: A framework for generating capped carbon nanotubes and fullerenes. NanoCap provides both libraries ... standalone application for the construction of capped nanotubes of arbitrary chirality and fullerenes...

GAP
 Referenced in 3221 articles
[sw00320]
 GAP is a system for computational discrete algebra...

Gmsh
 Referenced in 783 articles
[sw00366]
 Gmsh is a 3D finite element grid generator...

Mathematica
 Referenced in 6445 articles
[sw00554]
 Almost any workflow involves computing results, and that...

Matlab
 Referenced in 13702 articles
[sw00558]
 MATLAB® is a highlevel language and interactive...

LBFGSB
 Referenced in 200 articles
[sw01234]
 Algorithm 778: LBFGSB Fortran subroutines for...

JavaGenes
 Referenced in 3 articles
[sw01736]
 Many genetic algorithms use binary string or tree...

TRIC
 Referenced in 47 articles
[sw02165]
 TRIC is a simple but sophisticated 3node...

GAMESS
 Referenced in 41 articles
[sw03002]
 GAMESS is a program for ab initio molecular...

NAMD
 Referenced in 80 articles
[sw03198]
 NAMD is a parallel molecular dynamics code designed...

LBFGS
 Referenced in 852 articles
[sw03229]
 Algorithm 778: LBFGSB Fortran subroutines for...

PETSc
 Referenced in 1594 articles
[sw04012]
 The Portable, Extensible Toolkit for Scientiﬁc Computation (PETSc...

RODAS
 Referenced in 1757 articles
[sw04112]
 Rosenbrock method of order 4(3), for problems...

Gromacs
 Referenced in 124 articles
[sw04128]
 GROMACS is a versatile package to perform molecular...