Materials modelling and computer simulation codes: Difference between revisions
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*[[LAMMPS]]: Molecular Dynamics Simulator | *[[LAMMPS]]: Molecular Dynamics Simulator | ||
*[[DiMol2D: Molecular Dynamics Visualization]] | *[[DiMol2D: Molecular Dynamics Visualization]] | ||
*[[Molecular Workbench]]: Interactive simulations | |||
*[[VMD]]: Molecular Dynamics Visualization in 3D | *[[VMD]]: Molecular Dynamics Visualization in 3D | ||
*[[XCrysDen]]: Crystalline and molecular structure visualisation | *[[XCrysDen]]: Crystalline and molecular structure visualisation | ||
Revision as of 10:23, 22 February 2007
- DL_POLY: Molecular Simulation Package
- LAMMPS: Molecular Dynamics Simulator
- DiMol2D: Molecular Dynamics Visualization
- Molecular Workbench: Interactive simulations
- 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: Chemistry at HARvard Molecular Mechanics
- GROMACS: Classical MD
- X-PLOR: Computational structural biology
- VASP: Ab initio MD
- CPMD: Carr-Parrinello MD
- WIEN2K: Electronic structure calculation in solids
- NWCHEM: Computational Chemistry
- Dalton: Computational Chemistry