The Genetic algorithm for structure prediction – GASP – predicts the structure and composition of stable and metastable phases of crystals, molecules, atomic clusters and defects from first-principles. The GASP program is interfaced to many energy codes including: VASP, LAMMPS, MOPAC, Gulp, JDFTx and can efficiently run on parallel architectures. For more information about the code and how to download, install and use it, see the GASP website: http://gasp.mse.cornell.edu.
Developers: William W. Tipton and Stewart Wenner
- Pressure-induced structure transitions in Eu metal to 92 GPa.
W. Bi, Y. Meng, R. S. Kumar, A. L. Cornelius, W. W. Tipton, R. G. Hennig, Y. Zhang, C. Chen, and J. S. Schilling.
Phys. Rev. B 83, 104106 (2011). [web]
- Emergent reduction of electronic state dimensionality in dense ordered Li-Be alloys.
J. Feng, R. G. Hennig, N. W. Ashcroft and Roald Hoffmann.
Nature 451, 445 (2008). [web]