Browsing Code Catalog by Title
Now showing items 10-29 of 72
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ATOMPAW
"The computer program atompaw generates projector and basis functions which are needed for performing electronic structure calculations based on the Projector Augmented Wave (PAW) method. The program is applicable to ... -
Avizo 3D Software
Avizo is a 3D analysis software for scientific and industrial data. Wherever three-dimensional imaging data sets need to be processed, in materials science, geosciences or engineering applications, Avizo offers abundant ... -
BIOVIA Materials Studio
The Materials Studio modeling environment supports predictions and investigations of materials' structure-property relationships. The modeling environment includes solution methods for quantum, atomistic, mesoscale, and ... -
CALCULIX
CalculiX is a free finite element analysis software. "With CalculiX Finite Element Models can be build, calculated and post-processed. The pre- and post-processor is an interactive 3D-tool using the openGL API. The solver ... -
Cambridge Analytic Derivatives Package (CADPAC)
CADPAC, the Cambridge Analytic Derivatives Package, is a suite of programs for ab initio computational chemistry calculations. *This software is no longer supported.* -
CASTEP
CASTEP is a full-featured materials modelling code based on a first-principles quantum mechanical description of electrons and nuclei. It uses the robust methods of a plane-wave basis set and pseudopotentials. -
CATIA
CATIA offers, through a multidisciplinary approach, a full spectrum of design capabilities that enables efficient collaboration to encourage innovation across the extended enterprise. The CATIA product suite includes: CATIA ... -
COMPRO Simulation Software
COMPRO facilitates the analysis of complex composite structures and allow: prediction of deformations and recommendations for tool compensation, calculation of residual stresses in composite structures, simulation of hybrid ... -
COMSOL
The COMSOL Multiphysics simulation software environment facilitates all steps in the modeling process − defining your geometry, meshing, specifying your physics, solving, and then visualizing your results. -
CP2K
CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. CP2K provides a general ... -
CPMD
The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics. -
DACAPO
This tool performs calculations for Local Density Approximation (LDA) and Generalized Gradient Approximation (GGA) exchange-correlations potentials as well as various molecular dynamics calculations. Dacapo is a total ... -
Dante
DANTE enables predition of the effects of chemistry and process variables on hardness, residual stress state, metallurgical phase distribution, and dimensions. -
DEFORM
DEFORM is a suite of programs designed to analyze metal forming, heat treatment, machining and mechanical joining processes. -
deMon
deMon (density of Montréal) is a software package for density functional theory (DFT) calculations. It uses the linear combination of Gaussian-type orbital (LCGTO) approach for the self-consistent solution of the Kohn-Sham ... -
DICTRA
DICTRA is an add-on module to Thermo-Calc for the accurate simulation of diffusion controlled reactions in multicomponent alloy systems. DICTRA is based on the numerical solution of the multicomponent diffusion equations ... -
Dislostructures
Dislocation.f90 is a short program that generates edge/screw dislocations in different different crystal structures, FCC, HCP and BCC. The dislocations can be introduced in the form of a periodic array or a single infinite ... -
DL Visualize
The current release features an interface to the ab-initio periodic Hartree-Fock/DFT software package, CRYSTAL, the EXAFS analysis program DL_EXCURV, GULP v3 and the SXRD package ROD. DLV provides the ability to construct ...