• FLUID

  • Referenced in 1 article [sw19871]
  • properties are calculated using a simple gas model, empirical corrections, and an efficient numerical interpolation ... same purpose. A Van der Waals equation of state model is used to obtain approximate...
  • C2DB

  • Referenced in 1 article [sw38329]
  • computational modeling and design of new 2D materials and van der Waals heterostructures...
  • TensorMol

  • Referenced in 1 article [sw40930]
  • this manuscript we construct a hybrid model chemistry consisting of a nearsighted neural network potential ... with screened long-range electrostatic and van der Waals physics. This trained potential, simply dubbed ... laptops. We demonstrate the performance of the model by reproducing vibrational spectra, and simulating...
  • SCWRL4

  • Referenced in 7 articles [sw22393]
  • function; 4) a short-range, soft van der Waals atom-atom interaction potential; 5) fast ... simple command-line interface, designed for homology modeling. To achieve higher accuracy, SCWRL4 is somewhat...
  • FEMVib

  • Referenced in 1 article [sw09266]
  • oscillator provides the traditional first approximation for modeling molecular vibrational states. Rarely does a vibrational ... stretching of weak bonds in van der Waals complexes, and isomerization along relocalization coordinates ... approximate larger systems through a ”relaxed” model that allows complete coupling of up to three...
  • CGAL

  • Referenced in 402 articles [sw00118]
  • The goal of the CGAL Open Source Project...
  • Gmsh

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

  • Referenced in 5403 articles [sw00545]
  • The result of over 30 years of cutting...
  • 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...
  • SUNDIALS

  • Referenced in 246 articles [sw00927]
  • SUNDIALS was implemented with the goal of providing...
  • CLAWPACK

  • Referenced in 138 articles [sw01069]
  • Clawpack stands for “Conservation Laws Package” and was...
  • eigs

  • Referenced in 325 articles [sw03702]
  • eigs: Largest eigenvalues and eigenvectors of matrix The...
  • PETSc

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

  • Referenced in 513 articles [sw04021]
  • From this page you can get a Matlab...
  • COMSOL

  • Referenced in 460 articles [sw04091]
  • The COMSOL Multiphysics engineering simulation software environment facilitates...
  • RODAS

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

  • Referenced in 1616 articles [sw04215]
  • The Abaqus Unified FEA product suite offers powerful...
  • FEniCS

  • Referenced in 856 articles [sw04314]
  • The FEniCS Project is a collaborative project for...