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Computational Materials Simulation Tools Wiki

Projects

These projects are supported by Materials Computation Center and the National Center for Supercomputing Applications at University of Illinois.

  • OHMMS, multi-scale materials simulation toolkit
  • dataspork, Simulation Analysis Toolkit
    • datasporkpp, C++ version of dataspork: command-line tool without GUI, suitable for large files
  • QMCPACK, Quantum Monte Carlo package
  • PIMC++, Path Integral Monte Carlo package

Resources for Computational Materials Simulation

Personal tools