Browsing Code Catalog by Title

Now showing items 12-31 of 72

    • 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 ...

    • CALCULIX 

      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 

      http://sourceforge.net/p/cp2k/_members/
      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 

      Jurg Hutter
      The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

    • CRYMPS: Crystal Material Point Simulator 

      E.B. Marin; R. Carino

    • DACAPO 

      Marcin Dulak
      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 Solutions
      DANTE enables predition of the effects of chemistry and process variables on hardness, residual stress state, metallurgical phase distribution, and dimensions.

    • DEFORM 

      Scientific Forming Technologies Corporation
      DEFORM is a suite of programs designed to analyze metal forming, heat treatment, machining and mechanical joining processes.

    • deMon 

      Gerald Geudtner
      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 

      Thermo-Calc Software AB
      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 

      Sebastein Groh
      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 

      B.G.Searle
      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 ...

    • DMol 

      Accelrys Software Inc.
      DMol3 is a modeling program, and comes as part of Simulia's Materials Studio, that uses density functional theory (DFT) to simulate chemical processes and predict properties of materials both rapidly and accurately. Because ...

    • DREAM.3D 

      Group listed at http://dream3d.bluequartz.net/?page_id=65
      DREAM3D allows users to reconstruct and analyze 3D microstructures from a variety of sources including EBSD data (TSL & Oxford Instruments) and synthetically generated sources. In addition, the program allows the user to ...