• PARSEC

  • Referenced in 19 articles [sw22333]
  • electronic structure of matter, within density-functional theory. PARSEC is optimized for massively parallel computing ... directions), or confined. Structural relaxation. Simulated annealing. Langevin molecular dynamics. Polarizability calculations (confined-system boundary...
  • GraphEBM

  • Referenced in 1 article [sw37859]
  • permutation invariant. We apply Langevin dynamics to train the energy function by approximately maximizing likelihood...
  • AQUASOL

  • Referenced in 3 articles [sw17113]
  • space. In contrast, the dipolar Poisson–Boltzmann–Langevin (DPBL) formalism represents the solvent ... concentration; this leads to a nonlinear permittivity function that depends both on the position...
  • ISDEP

  • Referenced in 3 articles [sw08057]
  • Monte Carlo code that calculates the distribution function of a minority population of ions ... equivalence between the Fokker–Planck and Langevin equations. This allows ISDEP to run in distributed...
  • sdetorus

  • Referenced in 1 article [sw20248]
  • develop their estimation. We focus on studying Langevin diffusions with stationary distributions equal to well ... Ornstein-Uhlenbeck process. Their likelihood function is a product of transition densities with no analytical...
  • RedMD

  • Referenced in 1 article [sw32713]
  • microcanonical ensemble, with Berendsen and Langevin thermostats, and with Brownian dynamics. We provide force field ... example, to add new potential energy functions. Normal mode analysis tool is available for elastic...
  • ALLD

  • Referenced in 2 articles [sw00030]
  • The ALLD simulation software implements a mesoscopic lattice...
  • Expokit

  • Referenced in 180 articles [sw00258]
  • Expokit provides a set of routines aimed at...
  • Gmsh

  • Referenced in 627 articles [sw00366]
  • Gmsh is a 3D finite element grid generator...
  • HSL

  • Referenced in 274 articles [sw00418]
  • HSL (formerly the Harwell Subroutine Library) is a...
  • Mathematica

  • Referenced in 6041 articles [sw00554]
  • Almost any workflow involves computing results, and that...
  • Matlab

  • Referenced in 12477 articles [sw00558]
  • MATLAB® is a high-level language and interactive...
  • Maxima

  • Referenced in 154 articles [sw00560]
  • Maxima is a system for the manipulation of...
  • NAG

  • Referenced in 419 articles [sw00610]
  • Produced by experts for use in a variety...
  • R

  • Referenced in 8728 articles [sw00771]
  • R is a language and environment for statistical...
  • RANLUX

  • Referenced in 56 articles [sw00778]
  • RANLUX: a Fortran implementation of the high-quality...
  • VODE

  • Referenced in 194 articles [sw01005]
  • VODE: A variable-coefficient ODE solver. This paper...
  • CLAWPACK

  • Referenced in 128 articles [sw01069]
  • Clawpack stands for “Conservation Laws Package” and was...
  • AMCMC

  • Referenced in 15 articles [sw01123]
  • AMCMC is a package written in R and...
  • QUADPACK

  • Referenced in 253 articles [sw01236]
  • Fortran subprograms for evaluating definite integrals of functions...