ECMM105 part3 home page

Computational Modelling of Materials

You may like to look at the full module description

Lecture Slides

• Lecture 1 (sorry large, 30Mb)
• Lecture 2
• Lecture 3
• Lecture 4

Downloads

• Article on auxetic metals
• GULP, executable
• GULP, manual, PDF
• GULP, help, html
• GULP, libraries and examples
• MSViewer, atomisitic visualiser
• Democritus, Molecular Dynamics tutorial

Links

• Molecular Dynamics Tutorial 
• GULP, all purpose potential based code
• ABINIT, DFT code