GUI for materials science

Example Resources

• LAMMPS Molecular Dynamics Simulator
• Density-Functional Theory (DFT) Codes

  Links to community-wide DFT codes.

• NIST DFT and materials codes web page with links
• Materials repository
• Atomman/LAMMPS python tool kit
• iprPy High-Throughput Computational Framework

  Allows for general workflow development of various calculational tools

• NIST referenced external resources for materials computation
• NASA software available catalog
• Example NASA software/freeware (U.S. release only)