Active maintenance of these web resources ceased in 2012 and they will not be updated. They are posted for archival purposes only. |
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DFT Studies on Ferroelectric Ceramics and Their Alloys: BaTiO3, PbTiO3, SrTiO3, AgNbO3, AgTaO3, PbxBa1-xTiO3 and SrxBa
 M. Uludo et al., article (2008)
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Atomistic-continuum and ab initio estimation of the elastic moduli of single-walled carbon nanotubes
K. Chandraseker and S. Mukherjee, article (2007)
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
G. Kresse and J. Furthmüller, article (1996)
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Accuracy of Ab Initio Methods in Predicting the Crystal Structures of Metals: A review of 80 binary alloys
Curtarolo, S. et al., article (2005)
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Interface Between Quantum-Mechanical-Based Approaches, Experiments, and CALPHAD Methodology
Turchi, P.E.A. et al., article (2007)
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