Now showing items 1-20 of 72

    • ABAQUS 

      Dassault Systemes
      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 

      Xavier Gonze,
      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 

      Scientific Computing & Modelling
      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 

      Patrick Briddon
      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 

      ANSYS, Inc.
      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.CO LTD
      "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 

      Quantum Wise
      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 

      Micael Oliveira; Fernando Nogueira; Tiago Cerqueira
      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) 

      Steve Plimpton
      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 

      N. A. W. Holzwarth; A. R. Tackett; G. E. Matthews
      "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 ...
    • BigDFT 

      Luigi Genovese; Thierry Deutsch
      BigDFT is an ab initio code based on Daubechies wavelets.
    • BIOVIA Materials Studio 

      BIOVIA - Dassault Systèmes
      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 ...

      Guido Dhondt; Klaus Wittig
      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) 

      R. D. Amos
      CADPAC, the Cambridge Analytic Derivatives Package, is a suite of programs for ab initio computational chemistry calculations. *This software is no longer supported.*
    • CASTEP 

      Matthew Segall; Matt Probert; Stewart Clark; Phil Hasnip; Keith Refson; Jonathan Yates; Mike Payne
      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 

      Dassault Systèmes
      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 

      Convergent Manufacturing Technologies Inc
      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 

      COMSOL Inc
      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 ...