Materials modelling and computer simulation codes: Difference between revisions
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*[[Gaussian]]: Computational Chemistry | *[[Gaussian]]: Computational Chemistry | ||
*[[Assisted Model Building with Energy Refinement (AMBER)]] | *[[Assisted Model Building with Energy Refinement (AMBER)]] | ||
*[[NAMD: Classical MD | *[[NAMD]]: Classical MD | ||
*[[CHARMM]] | *[[CHARMM]] | ||
*[[GROMACS: Classical MD | *[[GROMACS]]: Classical MD | ||
*[[X-PLOR]] | *[[X-PLOR]] | ||
*[[VASP: Ab initio MD]] | *[[VASP: Ab initio MD]] | ||
Revision as of 10:52, 22 February 2007
- 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: Electronic structure calculation in solids
- NWCHEM: Computational Chemistry
- Dalton: Computational Chemistry