Code Catalog: Recent submissions

Now showing items 61-72 of 72

    • BigDFT 

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

    • 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.

    • Avizo 3D Software 

      FEI
      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 ...

    • EKKcapcast 

      EKK Inc
      EKK�s Finite Element Method (FEM) based EKKcapcast software includes Solidification, Thermal , Fluid flow, Stress and Porosity analysis tools which can accurately identify your casting defects and help you optimize your ...

    • 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 ...

    • AIMPRO 

      Patrick Briddon Patrick.Briddon@ncl.ac.uk
      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 ...

    • 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 ...

    • 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 ...

    • ABINIT 

      Xavier Gonze, xavier.gonze@.uclouvain.be
      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 ...

    • 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 ...

    • 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 ...