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  • 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, metal-organic 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...

  • ab-initio
  • 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 high-level language and interactive...

  • L-BFGS-B
  • Referenced in 200 articles [sw01234]
  • Algorithm 778: L-BFGS-B Fortran subroutines for...

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

  • 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...

  • L-BFGS
  • Referenced in 852 articles [sw03229]
  • Algorithm 778: L-BFGS-B 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...