Code Catalog: Recent submissions

Now showing items 41-60 of 72

    • FPLO 

      Klaus Koepernik K.Koepernik@ifw-dresden.de
      "The FPLO package is a full-potential local-orbital minimum-basis code [1] [2] to solve the Kohn-Sham equations on a regular lattice [6]. The situation of a chemically disordered structure is covered by a CPA solver [3], ...

    • FLEUR 

      Stefan Blugel
      "This is the homepage of FLEUR, a feature-full, freely available FLAPW (full potential linearized augmented planewave) code, based on density-functional theory. The FLAPW-Method (Full Potential Linearized Augmented Plane ...

    • FactSage 

      Thermfact/CRCT; GTT-Technologies
      FactSage©, one of the largest fully integrated database computing systems in chemical thermodynamics in the world, was introduced in 2001 and is the fusion of the FACT-Win/F*A*C*T and ChemSage/SOLGASMIX thermochemical packages.

    • FORGE NxT 

      Transvalor
      This software can simulate hot, warm, and cold forging of both 3D parts and 2D geometry parts, using different process settings and/or different die designs. Accurate predictions are then made for the dies (wear, damage, ...

    • Flow-3D 

      Flow Science Inc.
      FLOW-3D is a powerful and highly-accurate CFD software that facilitates the simulation and analysis of many physical flow processes.

    • Engineering Virtual Organization for CyberDesign 

      Mark Horstemeyer, mfhorst@cavs.msstate.edu; Tomasz Haupt haupt@cavs.msstate.edu
      "The Engineering Virtual Organization for CyberDesign (EVOCD, https://icme.hpc.msstate.edu) is dedicated to the accumulation of the “intellectual capital” pertaining to ICME. In fact, it is the organization’s capital that ...

    • 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 ...

    • 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 ...

    • ELK 

      Kay Dewhurst; Sangeeta Sharma sharma@mpi-halle.mpg.de; Lars Nordström lars.nordstrom@physics.uu.se; Francesco Cricchio; Fredrik Bultmark; Oscar Grånäs oscar.granas@gmail.com; Hardy Gross hardy@mpi-halle.mpg.de
      ELK is an all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features. Written originally at Karl-Franzens-Universität Graz as a milestone of the EXCITING EU Research and Training ...

    • 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 ...

    • CPMD 

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

    • DEFORM 

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

    • Dante 

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

    • 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 ...

    • 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 ...

    • UltraSoft PseudoPotential 

      David Vanderbilt
      A DFT atomic pseudopotential code developed by David Vanderbilt at Rutgers University.

    • 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 ...

    • 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 ...

    • 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 ...

    • 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.*