×

Name | Scale | Description | Tutorials |
---|---|---|---|

Altair HyperMesh | Macroscale | Finite element pre-processor that provides an interactive and visual environment to analyze product design performance | |

AtomSK | Nanoscale | Command-line program useful for creation, manipulation, and conversion of data files for atomic-scale simulations in the field of computational materials sciences. | Basic Tutorial |

Avogadro | Nanoscale | Advanced molecule editor and visualizer. Useful for visualization of polymeric structure. | |

Biova Materials Studio | Electronic scale
Atomic scale (Nanoscale) |
Initial structure generator for electronic, atomistic, and molecular simulations. | |

MATLAB | Multiscale | General technical computing environment for data analysis, curve fitting, and visualization. Can define molecular/ crystal structure through text processing. | Basic Tutorial |

OVITO | Nanoscale
Electronic Scale |
Visualization and analysis tool for atomic level simulations. Can convert to different input file | Tutorials |

Packmol | Nanoscale
Coarse-grained modeling |
Package for building starting configurations for MD in an automated fashion. Useful for polymeric structure construction. | |

Python | Multiscale | Simple yet powerful language with additional packages for technical data analysis and visualization. Can define molecular/crystal structure through text processing. |
Interface with LAMMPS/VASP/QE General Stacking Fault Energy Calculation Python Script that runs QE or VASP |

Scienomics MAPS | Electronic scale
Atomic scale (Nanoscale) |
Similar to the material studio, MAPS is a GUI software for model building of materials, properties simulation and analysis. |

Name | Scale | Description | Tutorials |
---|---|---|---|

ABAQUS | Structural | A suite of software applications for finite element analysis and computer-aided engineering. Implicit and Explicit Finite Element Code that allows a user subroutine. | Intro to Crystal Plasticity Finite Element Method(CPFEM) |

Biova Materials Studio | Electronic scale
Atomic scale (Nanoscale) |
A complete modeling and simulation environment designed to allow researchers in materials science and chemistry to predict and understand the relationships of a materialâ€™s atomic and molecular structure | |

CALCULIX | Macroscale | Open Source Finite Element Code. Preprocessors can write mesh related data for nastran, abaqus, ansys, code-aster and for the free-cfd codes dolfyn, duns, ISAAC and OpenFOAM. | |

COMSOL | Structural | Multiphysics simulation software | |

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 | Courses - Tutorial |

ISV User Materials | Macroscale | Abaqus Input Files UMAT Fortran Codes | |

LAMMPS | Nanoscale | Large-scale Atomic/Molecular Massively Parallel Simulator | LAMMPS Tutorials & Resources |

LS-DYNA | Structural | Explicit Finite Element Code used for Dynamic and Shock Problems | |

MDDP | Microscale | Multiscale Dislocation Dynamics Plasticity (MDDP) is a discrete dislocation dynamics (DD) model for crystalline materials. | Introduction to MDDP (Dislocation Dynamics) |

microMegas | Microscale | Serial 3-D Discrete Dislocation Dynamics code | mM tutorial |

MOOSE | Macroscale | An open-source, parallel finite element framework | MOOSE Gallery |

MPC | Nanoscale | MEAM Parameter Calibration (MPC) is a graphical MATLAB application for interactive editing of MEAM library and parameter files for use with LAMMPS. | Video Tutorials: |

MSF | Macroscale | A MATLAB routine used for calibrating MultiStage Fatigue Model | Tutorial |

Quantum Espresso | Electronic | A DFT code that used plane wave basis functions. Accuracy and simulation time are set by k points and cutoff energy. | QE Tutorial General Stacking Fault Energy Calculation Python Script that runs QE or VASP |

Scienomics MAPS | Electronic scale
Atomic scale (Nanoscale) |
Similar to the material studio, MAPS is a GUI software for model building of materials, properties simulation and analysis. | |

VASP | Electronic | VASP is a package for performing ab-initio quantum-mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. | General Stacking Fault Energy Calculation Python Script that runs QE or VASP |

ViscoPlastic Self-Consisten (VPSC) | Mesoscale | Multipurpose polycrystal plasticity research code, based on the knowledge of the mechanisms of slip and twinning that are active in single crystals of arbitrary symmetry. | |

WARP3D | Macroscale | Open Source Code for the solution of large-scale, 3-D solid models subjected to static and dynamic loads. The capabilities of the code focus on fatigue & fracture analyses primarily in metals. |

Name | Scale | Description | Tutorials |
---|---|---|---|

AtomEye | Nanoscale Electronic scale |
3d visualization and analysis software. | |

Avogadro | Nanoscale | Advanced molecule editor and visualizer. Useful for visualization of polymeric structure. | |

EnSight | Multiscale | Visualization tool for Ansis software that can handle large simulation physics datasets. | |

ImageJ | Multiscale | Image analysis software for structure or data quantification or characterization. | Particle Characterization with ImageJ How to make a movie with ImageJ Nearest Neighbor Distances Calculation with ImageJ |

JMol | Nanoscale | An open-source Java viewer for chemical structures in 3D | |

MATLAB | Multiscale | General technical computing environment for data analysis, curve fitting, and visualization. | Basic Tutorial Ternary Plot for Goal Oriented Design Method SHPB Analysis |

OVITO | Nanoscale Electronic scale |
Visualization and analysis tool for atomic level simulations. | Making Atomistic Movies Using OVITO Video Tutorials: |

Punto | Nanoscale Electronic scale |
Freely available visualisation tool for particle simulations. | |

pyDEM | Multiscale | Generalized Inductive Design Exploration Method (IDEM) implementation software. | |

PyMol | Nanoscale | Molecular Visualization software written in python. | |

Python | Multiscale | Simple yet powerful language with additional packages for technical data analysis and visualization. | Interface with LAMMPS/VASP/QE |

TecPlot | Multiscale | Post processing tool for CFD, FEA, or DD simulations files. | TecPlot Tutorial |

- VASP
- Introduction to Electronic Structure Calculations Using VASP
- How to Calculate Basic Calculations to get the Lattice Parameter, Cohesive Energy, and Bulk Modulus for Aluminum
- How to Calculate Vacancy Formation Energy Calculation for Aluminum
- How to Calculate Interstitial Formation Energy for Aluminum
- How to Calculate Surface Formation Energy for Aluminum
- How to Calculate Surface Adsorption Energy for Aluminum
- How to Calculate Generalized Stacking Fault Energy Curve on (111) Glide Plane, Along [1-10] Glide Direction for Aluminum

- Preprocessing and Postprocessing Codes
- Postprocessing Codes
- Visualization
- Material Models