Browsing Code Catalog by Subject "materials science"
Now showing items 1-20 of 53
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ABAQUS
ABAQUS sold as part of the SIMULIA package. SIMULIA delivers a scalable suite of unified analysis products that allow all users, regardless of their simulation expertise or domain focus, to collaborate and seamlessly share ... -
ABINIT
ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory ... -
ADF - molecular modeling suite
Model molecules, surfaces and bulk with fast & accurate DFT or semi-empirical (MOPAC, DFTB) methods and study the reactivity in large, complex systems (ReaxFF) with the ADF modeling suite. A single integrated GUI ensures ... -
AIMPRO
AIMPRO is "a modelling technique for calculating the structural, electrical, optical and mechanical properties of molecules. Techniques such as AIMPRO are used to study Defect Engineering, which relates to the use of ... -
ANSYS
Finite element analysis software for structural physics that can simulate static, dynamic and heat transfer problems. ANSYS now markets a variety of software programs that serve simulation and modeling needs. -
AnyCasting
"AnyCasting is an analysis program designed exclusively for casting processes." The program predicts filling times, solidification patterns, casting defects, etc. with speed and accuracy. AnyCasting also predicts final ... -
ATK
Atomistix ToolKit (ATK) is a software package that offers unique capabilities for simulating nanostructures on the atomic scale. Users can work with either the Virtual NanoLab GUI or using Python scripts. -
Atomic Pseudopotentials Engine
APE (Atomic Pseudopotential Engine) is a tool for generating atomic pseudopotentials within a Density-Functional Theory framework. It is distributed under the GPL and it produces pseudopotential files suitable for use with ... -
Atomistic Stress Simulator (WARP)
WARP is a parallel molecular dynamics simulation code for modeling stress and strain in materials using embedded atom method (EAM) and Lennard-Jones (LJ) potentials. It is written in F90 and performs message-passing via ... -
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 ... -
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 ... -
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.