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FORUMS > EVALUATION/COMPARISON OF SIMULATION METHODS Replies Originator Last Post
New Messages DFT Studies on Ferroelectric Ceramics and Their Alloys: BaTiO3, PbTiO3, SrTiO3, AgNbO3, AgTaO3, PbxBa1-xTiO3 and SrxBa
 M. Uludo et al., article (2008)
0 Cathy Rohrer 5/5/2008 10:05 PM
by Cathy Rohrer
New Messages Atomistic-continuum and ab initio estimation of the elastic moduli of single-walled carbon nanotubes
 K. Chandraseker and S. Mukherjee, article (2007)
0 Cathy Rohrer 4/7/2008 1:50 PM
by Cathy Rohrer
New Messages Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
 G. Kresse and J. Furthm├╝ller, article (1996)
0 Cathy Rohrer 4/7/2008 1:27 PM
by Cathy Rohrer
New Messages Accuracy of Ab Initio Methods in Predicting the Crystal Structures of Metals: A review of 80 binary alloys
 Curtarolo, S. et al., article (2005)
0 Cathy Rohrer 2/8/2007 9:56 PM
by Cathy Rohrer
New Messages Interface Between Quantum-Mechanical-Based Approaches, Experiments, and CALPHAD Methodology
 Turchi, P.E.A. et al., article (2007)
0 Cathy Rohrer 2/8/2007 9:51 PM
by Cathy Rohrer
FORUMS > EVALUATION/COMPARISON OF SIMULATION METHODS

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