A Portal Site of Materials Science Simulation

MateriApps LIVE! can run on Windows, OSX, and Linux via a virtual desktop environment such as VirtualBox. Snapshot images of VirtualBox (.ova files) are also provided. You can also boot MateriAppsLIVE! directly from USB memory.

• ABINIT
• AkaiKKR
• ALAMODE
• ALPS
• BSA
• C-Tools
• DCore
• DDMRG
• DSQSS
• ERmod
• feram
• FermiSurfer
• FMO in GAMESS
• GAMESS-US
• Gromacs
• HΦ
• LAMMPS
• mVMC
• Open Babel
• OpenMX
• ParaView
• QUANTUM ESPRESSO
• RESPACK
• SALMON
• SMASH
• TAPIOCA
• TRIQS/CTHYB
• TRIQS/DFT tools
• VESTA
• VMD
• XCRYSDEN
• xTAPP

• Electronic Structure Calculation (Solid State Physics)
  • ABINIT, AkaiKKR, CP2K, OpenMX, Quantum ESPRESSO, xTAPP
• Electronic Structure Calculation (Quantum Chemistry)
  • GAMESS, SMASH
• Molecular Dynamics
  • Gromacs, LAMMPS, ERmod
• Strongly Correlated Systems / Effective Model Calculation
  • ALPS, BSA, DSQSS, feram, HΦ
• Tools — Visualization / Modeling / Data Analyze
  • Avogadro, C-Tools, OpenDX, Paraview, Pymol, Rasmol, Tapioca, VESTA, VMD, XCrysDen

MateriApps LIVE! provides Debian repository and package to install these softwares into your Debian GNU/Linux system.

https://github.com/cmsi/MateriAppsLive/wiki/UsingMateriAppsInDebian-en