Materials modelling and computer simulation codes
A
C
D
- Dalton: Computational Chemistry
- DiMol2D: Molecular Dynamics Visualization
- DL_POLY: Molecular Simulation Package
G
L
- LAMMPS: Molecular Dynamics Simulator
M
- Materials Studio
- Molecular Workbench: Interactive simulations
N
V
W
- WIEN2K: Electronic structure calculation in solids