Category:Repository of Codes

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Electronic scale Atomic scale (Nanoscale) Microscale Mesoscale Macroscale Structural scale
2-10 Å 1-300 nm 0.1-15 μm 1-10 mm >10 mm
Density Functional Theory Molecular Dynamics Dislocation Dynamics Crystal Plasticity Internal State Variables Finite Element Analysis

Pre-processing Codes

click on the name of the code to go to the code home page
Name of the Code Scale Short Description
Biova Materials Studio multiscale Initial structure generator for electronic, atomistic, and molecular simulations .
HYPERMESH multiscale Commercial by HyperWorks: "Altair HyperMesh is a high-performance finite element pre-processor that provides a highly interactive and visual environment to analyze product design performance"
MatLAB multiscale General technical computing environment for data analysis, curve fitting, and visualization.
Python multiscale Simple yet powerful language with additional packages for technical data analysis and visualization.
Avogadro nanoscale Advanced molecule editor and visualizer
Edmol electronic A graphical molecular editor.
esra nanoscale Lightweight molecular modeling and analysis library (Java/Jython/Mathematica).
Molecular Workbench nanoscale Interactive molecular dynamics simulations on your desktop.
Packmol nanoscale Package for building starting configurations for MD in an automated fashion.
Sirius visualization software nanoscale Molecular modeling, analysis and visualization of MD trajectories.
VCSG mesoscale Virtual Composite Structure Generator code for generating random composite geometry representative volume elements for finite element analysis.

Processing Codes

click on the name of the code to go to the code home page
Name of the Code Scale Short Description
Biova Materials Studio multiscale A complete modeling and simulation environment designed to allow researchers in materials science and chemistry to predict and understand the relationships of a material’s atomic and molecular structure
MOOSE multiscale Multiphysics Object-Oriented Simulation Environment
ABAQUS structural Implicit and Explicit Finite Element Code
COMSOL structural Commercial by 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"
LS-DYNA structural Explicit Finite Element Code used for Dynamic and Shock Problems
NASTRAN structural Commercial by MSC Software: "SC Nastran is the world's most widely used Finite Element Analysis (FEA) solver"
PAM-CRASH structural Commercial by ESI Group: "The world's most widely used crash simulation software"
SYSWELD structural Explicit Finite Element Code used for Dynamic and Shock Problems
ABAQUS (FEM) macroscale A suite of software applications for finite element analysis and computer-aided engineering
CALCULIX macroscale Open Source Finite Element Code
DMGfit macroscale A MATLAB routine used for calibrating the MSU ISV Plasticity-Damage Model
Elmer macroscale Open Source (GPL) multi-physics FEA code written in FORTRAN 90 with a C++/Qt GUI
MSC macroscale Master Sintering Curve
MSF macroscale MultiStage Fatigue Model
TAHOE macroscale Implicit and Explicit Finite Element Code
WARP3D macroscale Open Source Code for 3D Nonlinear Analysis of Solids
ABAQUS (CPFEM) mesoscale Crystal Plasticity Finite Element Method
CRYMMPS mesoscale Crystal Material Point Simulator.
MC mesoscale microstructure mapping
VPSC mesoscale ViscoPlastic Self-Consistent Code
Dislostructures microscale Simple edge/screw dislocations generator for different different crystal structures
MDDP microscale Multiscale Dislocation Dynamics Plasticity (MDDP) is a discrete dislocation dynamics (DD) model for crystalline materials.
microMegas microscale serial 3-D Discrete Dislocation Dynamics code with Intel Compiler optimizations
BOSS (molecular mechanics) nanoscale MC in OPLS
DYNAMO nanoscale alternative to LAMMPS
GSF nanoscale Scripts to calculate General Stacking Fault curves for different crystal structures
GTA nanoscale
Downloadable zip file of Grain Tracking Algorithm
LAMMPS nanoscale Large-scale Atomic/Molecular Massively Parallel Simulator
MPC nanoscale MEAM Parameter Calibration (MPC) is a graphical MATLAB application for interactive editing of MEAM library and parameter files for use with LAMMPS.
WARP nanoscale 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 (An old alternative to LAMMPS).
Poseidon electronic A concurrent multiscale simulation program using molecular dynamic simulation and density functional theory calculation
SIESTA electronic One DFT code that can handle (at least) principally thousands of atoms. Basis functions are atomic orbitals.
Quantum Espresso electronic A DFT code that used plane wave basis functions. Accuracy and simulation time are set by k points and cutoff energy.
GSFE Curve electronic A python script that computes GSFE curves for either FCC or BCC systems using either VASP or Quantum Espresso.
VASP electronic VASP is a package for performing ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set.

See also:

Post-processing Codes

click on the name of the code to go to the code home page
Name of the Code Scale Short Description
Avizo_(software) multiscale 3d visualization and analysis software.
Biova Materials Studio multiscale 3d visualization and analysis capabilities.
Ensight multiscale
ImageJ multiscale Image analysis software for structure or data quantification or characterization.
MatLAB multiscale General technical computing environment for data analysis, curve fitting, and visualization.
Python multiscale Simple yet powerful language with additional packages for technical data analysis and visualization.
TecPlot multiscale Post processing tool for CFD, FEA, or DD simulations files.
Ternary multiscale Thermodynamics. Open source ternary thermodynamics calculation and visualization code.
SHPB Analysis macroscale Data analysis tool for SHPB testing written in Matlab.
AtomEye nanoscale electronic scale 3d visualization and analysis software.
Avogadro nanoscale Advanced molecule editor and visualizer
BOSS (molecular mechanics) nanoscale MC in OPLS
esra nanoscale Lightweight molecular modeling and analysis library (Java/Jython/Mathematica).
iMol nanoscale Molecular visualizer for Mac OS X
JMol nanoscale An open-source Java viewer for chemical structures in 3D
Molecular Workbench nanoscale Interactive molecular dynamics simulations on your desktop.
Ovito nanoscale electronic scale Visualization and analysis tool for atomic level simulations.
Packmol nanoscale Package for building starting configurations for MD in an automated fashion.
Punto nanoscale electronic scale Freely available visualisation tool for particle simulations.
PyMol nanoscale Molecular Visualization software written in python.
RasMol nanoscale Molecular Graphics Visualisation Tool
Sirius visualization software nanoscale Molecular modeling, analysis and visualization of MD trajectories.
Ternary Plot multiscale Visualization tool for solution space of three variables.
Visual molecular dynamics (VMD) nanoscale MD simulation trajectories can be visualized and analyzed.
pyDEM multiscale Generalized Inductive Design Exploration Method (IDEM) implementation software.

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This category has the following 15 subcategories, out of 15 total.

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