
PARSEC
 Referenced in 19 articles
[sw22333]
 electronic structure of matter, within densityfunctional theory. PARSEC is optimized for massively parallel computing ... directions), or confined. Structural relaxation. Simulated annealing. Langevin molecular dynamics. Polarizability calculations (confinedsystem 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 ... OrnsteinUhlenbeck 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 highlevel 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 highquality...

VODE
 Referenced in 194 articles
[sw01005]
 VODE: A variablecoefficient 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...