Software - Theory Department

Software - Theory Department

FHI-aims
All-electron electronic structure theory with numeric atom-centered orbitals. more
kmcos -  Kinetic Monte Carlo of Systems
kmcos is designed for lattice based Kinetic Monte Carlo simulations to understand chemical kinetics and mechanisms. It has been used to produce more than 10 scientific publications. Links to tutorials and other documentation are below. more
Software - Prof. Klaus Hermann
Collection of surface crystallography and DFT/NEXAFS software more
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