Materials modelling and computer simulation codes
- DL_POLY: Molecular Simulation Package
- LAMMPS: Molecular Dynamics Simulator
- DiMol2D: Molecular Dynamics Visualization
- VMD: Molecular Dynamics Visualization in 3D
- XCrysDen: Crystalline and molecular structure visualisation
- Gaussian: Computational Chemistry
- Assisted Model Building with Energy Refinement (AMBER)
- NAMD: Classical MD
- CHARMM
- GROMACS: Classical MD
- X-PLOR
- VASP: Ab initio MD
- CPMD: Carr-Parrinello MD
- WIEN2K: APW calculation in solids
- NWCHEM: Computational Chemistry